(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

C88H123Cl2F7N2O2 — CID 160944564

IUPAC(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
SMILESC/C=C\C.CC(C)C.CC=C(C)C.CCN(C)CC.CN(CC1CC1)CC1CC1.COc1ccc(C)cc1.COc1ccccc1C.Cc1cccc(C(F)(F)F)c1.Cc1cccc(Cl)c1.Cc1ccccc1C.Cc1ccccc1C(F)(F)F.Cc1ccccc1Cl.Cc1ccccc1F
InChIInChI=1S/C9H17N.2C8H7F3.2C8H10O.C8H10.2C7H7Cl.C7H7F.C5H13N.C5H10.C4H10.C4H8/c1-10(6-8-2-3-8)7-9-4-5-9;1-6-3-2-4-7(5-6)8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11;1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)9-2;1-7-5-3-4-6-8(7)2;1-6-3-2-4-7(8)5-6;2*1-6-4-2-3-5-7(6)8;1-4-6(3)5-2;1-4-5(2)3;1-4(2)3;1-3-4-2/h8-9H,2-7H2,1H3;2*2-5H,1H3;2*3-6H,1-2H3;3-6H,1-2H3;3*2-5H,1H3;4-5H2,1-3H3;4H,1-3H3;4H,1-3H3;3-4H,1-2H3/b;;;;;;;;;;;;4-3-
InChIKeySUYFXNHVHGNOGJ-QVTFQQAGSA-N
MW1444.86 g/mol
LogP27.68
Rot. Bonds8

About (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

(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 (PubChem CID 160944564) has the molecular formula C88H123Cl2F7N2O2 and a molecular weight of 1444.86 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160944564
Molecular FormulaC88H123Cl2F7N2O2
Molecular Weight1444.86 g/mol
Exact Mass1442.88
IUPAC Name(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
SMILESC/C=C\C.CC(C)C.CC=C(C)C.CCN(C)CC.CN(CC1CC1)CC1CC1.COc1ccc(C)cc1.COc1ccccc1C.Cc1cccc(C(F)(F)F)c1.Cc1cccc(Cl)c1.Cc1ccccc1C.Cc1ccccc1C(F)(F)F.Cc1ccccc1Cl.Cc1ccccc1F
InChIInChI=1S/C9H17N.2C8H7F3.2C8H10O.C8H10.2C7H7Cl.C7H7F.C5H13N.C5H10.C4H10.C4H8/c1-10(6-8-2-3-8)7-9-4-5-9;1-6-3-2-4-7(5-6)8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11;1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)9-2;1-7-5-3-4-6-8(7)2;1-6-3-2-4-7(8)5-6;2*1-6-4-2-3-5-7(6)8;1-4-6(3)5-2;1-4-5(2)3;1-4(2)3;1-3-4-2/h8-9H,2-7H2,1H3;2*2-5H,1H3;2*3-6H,1-2H3;3-6H,1-2H3;3*2-5H,1H3;4-5H2,1-3H3;4H,1-3H3;4H,1-3H3;3-4H,1-2H3/b;;;;;;;;;;;;4-3-
InChIKeySUYFXNHVHGNOGJ-QVTFQQAGSA-N
XLogP27.68
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001444.86
LogP ≤ 527.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Related Compounds

1-chloro-2-methylbenzene;1-fluoro-3,5-dimethylbenzene;1-methoxy-2-methylbenzene;1,2-xylene;bis(1,3-xylene);pentakis(1,4-xylene)
CID 161096823
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-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene
CID 161222024
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
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
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
1-tert-butyl-4-chlorobenzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-2,4-difluorobenzene;2-tert-butyl-1,4-difluorobenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-2-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene
CID 159300907
1,2-bis(trifluoromethyl)benzene;1-butoxy-2-fluorobenzene;1-butoxy-3-fluorobenzene;1-chloro-2-(trifluoromethyl)benzene;1-chloro-4-(trifluoromethyl)benzene;1-(1,1-difluoroethyl)-2-fluorobenzene;1-(1,1-difluoroethyl)-4-(trifluoromethyl)benzene;1-ethoxy-2-fluorobenzene;1-fluoro-2-methoxy-4-methylbenzene;1-fluoro-2-propoxybenzene;1-fluoro-2-(trifluoromethoxy)benzene;3-methylbenzonitrile;bis(1-methyl-4-(trifluoromethoxy)benzene)
CID 158696529
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
1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene
CID 167533649
bis(tert-butylbenzene);1-tert-butyl-3-fluoro-5-methylbenzene;4-tert-butyl-2-fluoro-1-methylbenzene;bis(1-tert-butyl-4-methoxybenzene);4-tert-butyl-1-methoxy-2-(trifluoromethyl)benzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methyl-5-(trifluoromethyl)benzene;methane;1,3,5-tritert-butylbenzene
CID 159722061
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-(cyclobutylmethoxy)benzene;4-tert-butyl-1-(cyclobutylmethoxy)-2-fluorobenzene;4-tert-butyl-1-(cyclopentylmethoxy)-2-fluorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;1-tert-butyl-4-(cyclopropylmethoxy)benzene;4-tert-butyl-1-(cyclopropylmethoxy)-2-fluorobenzene;1-tert-butyl-4-(2,2-difluoroethoxy)benzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-4-(2,2-dimethylpropoxy)benzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;1-(4-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-2-fluoro-1-(2,2,2-trifluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene;1-tert-butyl-4-(2-methylpropoxy)benzene;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol
CID 158269158

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C/C=C\C.CC(C)C.CC=C(C)C.CCN(C)CC.CN(CC1CC1)CC1CC1.COc1ccc(C)cc1.COc1ccccc1C.Cc1cccc(C(F)(F)F)c1.Cc1cccc(Cl)c1.Cc1ccccc1C.Cc1ccccc1C(F)(F)F.Cc1ccccc1Cl.Cc1ccccc1F.
What is the InChIKey of (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?
The InChIKey is SUYFXNHVHGNOGJ-QVTFQQAGSA-N. The full InChI is InChI=1S/C9H17N.2C8H7F3.2C8H10O.C8H10.2C7H7Cl.C7H7F.C5H13N.C5H10.C4H10.C4H8/c1-10(6-8-2-3-8)7-9-4-5-9;1-6-3-2-4-7(5-6)8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11;1-7-3-5-8(9-2)6-4-7;1-7-5-3-4-6-8(7)9-2;1-7-5-3-4-6-8(7)2;1-6-3-2-4-7(8)5-6;2*1-6-4-2-3-5-7(6)8;1-4-6(3)5-2;1-4-5(2)3;1-4(2)3;1-3-4-2/h8-9H,2-7H2,1H3;2*2-5H,1H3;2*3-6H,1-2H3;3-6H,1-2H3;3*2-5H,1H3;4-5H2,1-3H3;4H,1-3H3;4H,1-3H3;3-4H,1-2H3/b;;;;;;;;;;;;4-3-.
What are the key properties of (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?
(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 has a molecular weight of 1444.86 g/mol, XLogP of 27.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160944564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).