1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol

C190H266Cl5F4NO2 — CID 158131396

IUPAC1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol
SMILESCC(C)CCc1c(Cl)cccc1Cl.CC(C)CCc1ccccc1.CC(C)CCc1ccccc1-c1ccc(CN)cc1.CC(C)CCc1ccccc1C(F)(F)F.CC(C)CCc1ccccc1CO.CC(C)CCc1ccccc1Cl.CC(C)CCc1ccccc1F.CCc1cccc(-c2ccccc2CCC(C)C)c1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCC(C)C)cc1Cl.Cc1ccc(CO)c(CCC(C)C)c1.Cc1ccc(Cl)c(CCC(C)C)c1.Cc1cccc(CCC(C)C)c1.Cc1cccc(CCC(C)C)c1
InChIInChI=1S/C19H24.C18H23N.C13H20O.2C12H17Cl.C12H15F3.C12H18O.4C12H18.C11H14Cl2.C11H15Cl.C11H15F.C11H16/c1-4-16-8-7-10-18(14-16)19-11-6-5-9-17(19)13-12-15(2)3;1-14(2)7-10-16-5-3-4-6-18(16)17-11-8-15(13-19)9-12-17;1-10(2)4-6-12-8-11(3)5-7-13(12)9-14;1-9(2)4-6-11-7-5-10(3)12(13)8-11;1-9(2)4-6-11-8-10(3)5-7-12(11)13;1-9(2)7-8-10-5-3-4-6-11(10)12(13,14)15;1-10(2)7-8-11-5-3-4-6-12(11)9-13;2*1-10(2)4-7-12-8-5-11(3)6-9-12;2*1-10(2)7-8-12-6-4-5-11(3)9-12;1-8(2)6-7-9-10(12)4-3-5-11(9)13;2*1-9(2)7-8-10-5-3-4-6-11(10)12;1-10(2)8-9-11-6-4-3-5-7-11/h5-11,14-15H,4,12-13H2,1-3H3;3-6,8-9,11-12,14H,7,10,13,19H2,1-2H3;5,7-8,10,14H,4,6,9H2,1-3H3;2*5,7-9H,4,6H2,1-3H3;3-6,9H,7-8H2,1-2H3;3-6,10,13H,7-9H2,1-2H3;2*5-6,8-10H,4,7H2,1-3H3;2*4-6,9-10H,7-8H2,1-3H3;3-5,8H,6-7H2,1-2H3;2*3-6,9H,7-8H2,1-2H3;3-7,10H,8-9H2,1-2H3
InChIKeyFSUXGWFMVDIDBD-UHFFFAOYSA-N
MW2849.48 g/mol
LogP58.05
Rot. Bonds51

About 1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol

1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol (PubChem CID 158131396) has the molecular formula C190H266Cl5F4NO2 and a molecular weight of 2849.48 g/mol. Its IUPAC name is 1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol.

Molecular Properties

Compound Name1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol
PubChem CID158131396
Molecular FormulaC190H266Cl5F4NO2
Molecular Weight2849.48 g/mol
Exact Mass2844.91
IUPAC Name1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol
SMILESCC(C)CCc1c(Cl)cccc1Cl.CC(C)CCc1ccccc1.CC(C)CCc1ccccc1-c1ccc(CN)cc1.CC(C)CCc1ccccc1C(F)(F)F.CC(C)CCc1ccccc1CO.CC(C)CCc1ccccc1Cl.CC(C)CCc1ccccc1F.CCc1cccc(-c2ccccc2CCC(C)C)c1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCC(C)C)cc1Cl.Cc1ccc(CO)c(CCC(C)C)c1.Cc1ccc(Cl)c(CCC(C)C)c1.Cc1cccc(CCC(C)C)c1.Cc1cccc(CCC(C)C)c1
InChIInChI=1S/C19H24.C18H23N.C13H20O.2C12H17Cl.C12H15F3.C12H18O.4C12H18.C11H14Cl2.C11H15Cl.C11H15F.C11H16/c1-4-16-8-7-10-18(14-16)19-11-6-5-9-17(19)13-12-15(2)3;1-14(2)7-10-16-5-3-4-6-18(16)17-11-8-15(13-19)9-12-17;1-10(2)4-6-12-8-11(3)5-7-13(12)9-14;1-9(2)4-6-11-7-5-10(3)12(13)8-11;1-9(2)4-6-11-8-10(3)5-7-12(11)13;1-9(2)7-8-10-5-3-4-6-11(10)12(13,14)15;1-10(2)7-8-11-5-3-4-6-12(11)9-13;2*1-10(2)4-7-12-8-5-11(3)6-9-12;2*1-10(2)7-8-12-6-4-5-11(3)9-12;1-8(2)6-7-9-10(12)4-3-5-11(9)13;2*1-9(2)7-8-10-5-3-4-6-11(10)12;1-10(2)8-9-11-6-4-3-5-7-11/h5-11,14-15H,4,12-13H2,1-3H3;3-6,8-9,11-12,14H,7,10,13,19H2,1-2H3;5,7-8,10,14H,4,6,9H2,1-3H3;2*5,7-9H,4,6H2,1-3H3;3-6,9H,7-8H2,1-2H3;3-6,10,13H,7-9H2,1-2H3;2*5-6,8-10H,4,7H2,1-3H3;2*4-6,9-10H,7-8H2,1-3H3;3-5,8H,6-7H2,1-2H3;2*3-6,9H,7-8H2,1-2H3;3-7,10H,8-9H2,1-2H3
InChIKeyFSUXGWFMVDIDBD-UHFFFAOYSA-N
XLogP58.05
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds51
Heavy Atoms202
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002849.48
LogP ≤ 558.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol?
The IUPAC name of 1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol (CID 158131396) is 1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol.
What is the SMILES notation for 1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol?
The canonical SMILES for 1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol is CC(C)CCc1c(Cl)cccc1Cl.CC(C)CCc1ccccc1.CC(C)CCc1ccccc1-c1ccc(CN)cc1.CC(C)CCc1ccccc1C(F)(F)F.CC(C)CCc1ccccc1CO.CC(C)CCc1ccccc1Cl.CC(C)CCc1ccccc1F.CCc1cccc(-c2ccccc2CCC(C)C)c1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCC(C)C)cc1Cl.Cc1ccc(CO)c(CCC(C)C)c1.Cc1ccc(Cl)c(CCC(C)C)c1.Cc1cccc(CCC(C)C)c1.Cc1cccc(CCC(C)C)c1.
What is the InChIKey of 1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol?
The InChIKey is FSUXGWFMVDIDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24.C18H23N.C13H20O.2C12H17Cl.C12H15F3.C12H18O.4C12H18.C11H14Cl2.C11H15Cl.C11H15F.C11H16/c1-4-16-8-7-10-18(14-16)19-11-6-5-9-17(19)13-12-15(2)3;1-14(2)7-10-16-5-3-4-6-18(16)17-11-8-15(13-19)9-12-17;1-10(2)4-6-12-8-11(3)5-7-13(12)9-14;1-9(2)4-6-11-7-5-10(3)12(13)8-11;1-9(2)4-6-11-8-10(3)5-7-12(11)13;1-9(2)7-8-10-5-3-4-6-11(10)12(13,14)15;1-10(2)7-8-11-5-3-4-6-12(11)9-13;2*1-10(2)4-7-12-8-5-11(3)6-9-12;2*1-10(2)7-8-12-6-4-5-11(3)9-12;1-8(2)6-7-9-10(12)4-3-5-11(9)13;2*1-9(2)7-8-10-5-3-4-6-11(10)12;1-10(2)8-9-11-6-4-3-5-7-11/h5-11,14-15H,4,12-13H2,1-3H3;3-6,8-9,11-12,14H,7,10,13,19H2,1-2H3;5,7-8,10,14H,4,6,9H2,1-3H3;2*5,7-9H,4,6H2,1-3H3;3-6,9H,7-8H2,1-2H3;3-6,10,13H,7-9H2,1-2H3;2*5-6,8-10H,4,7H2,1-3H3;2*4-6,9-10H,7-8H2,1-3H3;3-5,8H,6-7H2,1-2H3;2*3-6,9H,7-8H2,1-2H3;3-7,10H,8-9H2,1-2H3.
What are the key properties of 1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol?
1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol has a molecular weight of 2849.48 g/mol, XLogP of 58.05, 51 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol is sourced from PubChem (CID 158131396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).