1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene

C148H175BrCl5F6NO4S — CID 160903231

IUPAC1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene
SMILESCCOc1cccc(C)c1.CCc1cccc(C)c1.COc1cc(C)cc(OC)c1.COc1cccc(C)c1.CSc1cccc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(Cl)cc(Cl)c1.Cc1ccc(C)c(C)c1.Cc1ccc(Cl)c(C)c1.Cc1ccc(F)c(C)c1.Cc1ccc(F)c(C)c1.Cc1ccc(F)c(Cl)c1.Cc1ccc2c(c1)CCC2.Cc1cccc(Br)c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(C)c1.Cc1cccc(Cl)c1.Cc1cccc(N(C)C)c1
InChIInChI=1S/C10H12.C9H13N.C9H12O2.C9H12O.3C9H12.C8H9Cl.C8H7F3.2C8H9F.C8H10O.C8H10S.C8H10.C7H7Br.C7H6Cl2.C7H6ClF.C7H7Cl/c1-8-5-6-9-3-2-4-10(9)7-8;1-8-5-4-6-9(7-8)10(2)3;1-7-4-8(10-2)6-9(5-7)11-3;1-3-10-9-6-4-5-8(2)7-9;1-7-4-8(2)6-9(3)5-7;1-7-4-5-8(2)9(3)6-7;1-3-9-6-4-5-8(2)7-9;1-6-3-4-8(9)7(2)5-6;1-6-3-2-4-7(5-6)8(9,10)11;2*1-6-3-4-8(9)7(2)5-6;2*1-7-4-3-5-8(6-7)9-2;1-7-4-3-5-8(2)6-7;1-6-3-2-4-7(8)5-6;1-5-2-6(8)4-7(9)3-5;1-5-2-3-7(9)6(8)4-5;1-6-3-2-4-7(8)5-6/h5-7H,2-4H2,1H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,3H2,1-2H3;2*4-6H,1-3H3;4-7H,3H2,1-2H3;3-5H,1-2H3;2-5H,1H3;2*3-5H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;2*2-4H,1H3;2-5H,1H3
InChIKeySPUCRTIULCSUTB-UHFFFAOYSA-N
MW2435.25 g/mol
LogP46.11
Rot. Bonds8

About 1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene

1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene (PubChem CID 160903231) has the molecular formula C148H175BrCl5F6NO4S and a molecular weight of 2435.25 g/mol. Its IUPAC name is 1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene.

Molecular Properties

Compound Name1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene
PubChem CID160903231
Molecular FormulaC148H175BrCl5F6NO4S
Molecular Weight2435.25 g/mol
Exact Mass2430.08
IUPAC Name1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene
SMILESCCOc1cccc(C)c1.CCc1cccc(C)c1.COc1cc(C)cc(OC)c1.COc1cccc(C)c1.CSc1cccc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(Cl)cc(Cl)c1.Cc1ccc(C)c(C)c1.Cc1ccc(Cl)c(C)c1.Cc1ccc(F)c(C)c1.Cc1ccc(F)c(C)c1.Cc1ccc(F)c(Cl)c1.Cc1ccc2c(c1)CCC2.Cc1cccc(Br)c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(C)c1.Cc1cccc(Cl)c1.Cc1cccc(N(C)C)c1
InChIInChI=1S/C10H12.C9H13N.C9H12O2.C9H12O.3C9H12.C8H9Cl.C8H7F3.2C8H9F.C8H10O.C8H10S.C8H10.C7H7Br.C7H6Cl2.C7H6ClF.C7H7Cl/c1-8-5-6-9-3-2-4-10(9)7-8;1-8-5-4-6-9(7-8)10(2)3;1-7-4-8(10-2)6-9(5-7)11-3;1-3-10-9-6-4-5-8(2)7-9;1-7-4-8(2)6-9(3)5-7;1-7-4-5-8(2)9(3)6-7;1-3-9-6-4-5-8(2)7-9;1-6-3-4-8(9)7(2)5-6;1-6-3-2-4-7(5-6)8(9,10)11;2*1-6-3-4-8(9)7(2)5-6;2*1-7-4-3-5-8(6-7)9-2;1-7-4-3-5-8(2)6-7;1-6-3-2-4-7(8)5-6;1-5-2-6(8)4-7(9)3-5;1-5-2-3-7(9)6(8)4-5;1-6-3-2-4-7(8)5-6/h5-7H,2-4H2,1H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,3H2,1-2H3;2*4-6H,1-3H3;4-7H,3H2,1-2H3;3-5H,1-2H3;2-5H,1H3;2*3-5H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;2*2-4H,1H3;2-5H,1H3
InChIKeySPUCRTIULCSUTB-UHFFFAOYSA-N
XLogP46.11
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms166
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002435.25
LogP ≤ 546.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;(2,3-dimethoxy-5-methylphenyl)methanol;1-ethoxy-4-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(3-methoxy-5-methylphenyl)methanol;(4-methoxy-3-methylphenyl)methanol;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2,4-trimethylbenzene);1,2-xylene;1,4-xylene
CID 161022248
anisole;1,3-bis(trifluoromethyl)benzene;bromobenzene;1-bromo-3-chlorobenzene;tert-butylbenzene;chlorobenzene;1-chloro-3-fluorobenzene;1-chloro-3-methylbenzene;1-chloro-3-(trifluoromethyl)benzene;1,2-dichlorobenzene;1,3-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;1,3-dimethoxybenzene;icosakis(2,2-dimethylpropane);fluorobenzene;[2-(hydroxymethyl)phenyl]methanol;methylsulfanylbenzene;toluene;trifluoromethylbenzene;1,2-xylene;1,3-xylene
CID 158112039
butane;1-tert-butyl-4-methylbenzene;1-chloro-2,4-dimethylbenzene;bis(2-chloro-1,4-dimethylbenzene);1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-3-methylbenzene;2,4-dichloro-1-methylbenzene;1,4-difluoro-2-methylbenzene;1-ethoxy-2-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-3-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methyl-2-phenylbenzene;1-methyl-4-phenylbenzene;1-methyl-4-propan-2-ylbenzene;toluene;bis(1,2,4-trimethylbenzene);bis(1,4-xylene)
CID 167692619
(Z)-but-2-ene;1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-cyclopropyl-N-(cyclopropylmethyl)-N-methylmethanamine;N-ethyl-N-methylethanamine;1-fluoro-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methylbut-2-ene;2-methylpropane;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,2-xylene
CID 160944564
bromobenzene;chlorobenzene;1,3-difluorobenzene;1,4-difluorobenzene;ethane;fluorobenzene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-methoxy-3-methylbenzene;toluene;trifluoromethylbenzene;1,4-xylene
CID 160745721
1-bromo-3-methylbenzene;1-bromo-4-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methylbenzene;(2,3-dimethoxy-5-methylphenyl)methanol;1-ethoxy-4-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(3-methoxy-5-methylphenyl)methanol;(4-methoxy-3-methylphenyl)methanol;1-methyl-2-nitrobenzene;1-methyl-3-nitrobenzene;1-methyl-4-nitrobenzene;1-(4-methylphenyl)ethanone;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;toluene;bis(1,2,4-trimethylbenzene);1,2-xylene;1,4-xylene
CID 157475874
N-(3-ethoxyphenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 144987034
aniline;1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;4-bromo-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;4-chloro-2-methylaniline;N,N-dimethylaniline;N,N-dimethylnaphthalen-1-amine;4-methoxyaniline;4-methoxy-N-methylaniline;N,N,2,4,6-pentamethylaniline;N,N,3-trimethylaniline;N,N,4-trimethylaniline
CID 160548161
1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-dichloro-4-methoxy-5-methylbenzene;1,2-dichloro-4-methylbenzene;1,2-difluoro-4-methoxy-5-methylbenzene;4,5-difluoro-2-methylaniline;5-fluoro-2-methylaniline;1-fluoro-4-methylbenzene;methane;1-methoxy-2-methylbenzene;1-methoxy-2,4,5-trimethylbenzene;2-methylbenzoic acid;1-methyl-3-methylsulfanylbenzene;1-methyl-4-methylsulfanylbenzene;(2-methylphenyl)methanol;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,4-trimethylbenzene;1,4-xylene
CID 160711012
1-bromo-2,4-dimethylbenzene;4-chloro-1-methoxy-2-methylbenzene;1-chloro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethoxy-4-methylbenzene;1,4-dimethoxy-2-methylbenzene;2,4-dimethoxy-1-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-1-methyl-4-nitrobenzene;4-methylaniline;5-methyl-1,3-benzodioxole;3-methylbenzonitrile;5-methyl-2,3-dihydro-1H-indene;1-methyl-2-methylsulfanylbenzene;1-methyl-3-methylsulfanylbenzene;1-methylnaphthalene;1-methyl-4-phenoxybenzene;1-(3-methylphenyl)ethanone;bis(1-(4-methylphenyl)ethanone);1-methyl-4-propan-2-ylbenzene;1-phenylethanone;N,N,4-trimethylaniline;1,2,3-trimethylbenzene
CID 158517940
1-chloro-2-ethylbenzene;1-chloro-3-ethylbenzene;2-chloro-1-ethyl-4-methylbenzene;2-chloro-4-ethyl-1-methylbenzene;1,3-dichloro-2-ethylbenzene;ethylbenzene;4-ethyl-1,2-dimethylbenzene;bis(1-ethyl-2-methylbenzene);1-ethyl-3-methylbenzene;hexakis(1-ethyl-4-methylbenzene);1-ethyl-3-nitrobenzene;1-ethyl-3-(trifluoromethyl)benzene;methane;1-methyl-4-propylbenzene;naphthalene;propane;1,2,3,4-tetrahydronaphthalene;1,4-xylene
CID 157390336
5-[(3-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60645315

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene?
The IUPAC name of 1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene (CID 160903231) is 1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene.
What is the SMILES notation for 1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene?
The canonical SMILES for 1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene is CCOc1cccc(C)c1.CCc1cccc(C)c1.COc1cc(C)cc(OC)c1.COc1cccc(C)c1.CSc1cccc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(Cl)cc(Cl)c1.Cc1ccc(C)c(C)c1.Cc1ccc(Cl)c(C)c1.Cc1ccc(F)c(C)c1.Cc1ccc(F)c(C)c1.Cc1ccc(F)c(Cl)c1.Cc1ccc2c(c1)CCC2.Cc1cccc(Br)c1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(C)c1.Cc1cccc(Cl)c1.Cc1cccc(N(C)C)c1.
What is the InChIKey of 1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene?
The InChIKey is SPUCRTIULCSUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C9H13N.C9H12O2.C9H12O.3C9H12.C8H9Cl.C8H7F3.2C8H9F.C8H10O.C8H10S.C8H10.C7H7Br.C7H6Cl2.C7H6ClF.C7H7Cl/c1-8-5-6-9-3-2-4-10(9)7-8;1-8-5-4-6-9(7-8)10(2)3;1-7-4-8(10-2)6-9(5-7)11-3;1-3-10-9-6-4-5-8(2)7-9;1-7-4-8(2)6-9(3)5-7;1-7-4-5-8(2)9(3)6-7;1-3-9-6-4-5-8(2)7-9;1-6-3-4-8(9)7(2)5-6;1-6-3-2-4-7(5-6)8(9,10)11;2*1-6-3-4-8(9)7(2)5-6;2*1-7-4-3-5-8(6-7)9-2;1-7-4-3-5-8(2)6-7;1-6-3-2-4-7(8)5-6;1-5-2-6(8)4-7(9)3-5;1-5-2-3-7(9)6(8)4-5;1-6-3-2-4-7(8)5-6/h5-7H,2-4H2,1H3;4-7H,1-3H3;4-6H,1-3H3;4-7H,3H2,1-2H3;2*4-6H,1-3H3;4-7H,3H2,1-2H3;3-5H,1-2H3;2-5H,1H3;2*3-5H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;2*2-4H,1H3;2-5H,1H3.
What are the key properties of 1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene?
1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene has a molecular weight of 2435.25 g/mol, XLogP of 46.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methylbenzene;1-chloro-2,4-dimethylbenzene;2-chloro-1-fluoro-4-methylbenzene;1-chloro-3-methylbenzene;1,3-dichloro-5-methylbenzene;1,3-dimethoxy-5-methylbenzene;1-ethoxy-3-methylbenzene;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);1-methoxy-3-methylbenzene;5-methyl-2,3-dihydro-1H-indene;1-methyl-3-methylsulfanylbenzene;1-methyl-3-(trifluoromethyl)benzene;N,N,3-trimethylaniline;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene is sourced from PubChem (CID 160903231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).