1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene

C13H19Cl — CID 139403949

IUPAC1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene
SMILESCc1cc(C)c(C(C)C(C)C)c(Cl)c1
InChIInChI=1S/C13H19Cl/c1-8(2)11(5)13-10(4)6-9(3)7-12(13)14/h6-8,11H,1-5H3
InChIKeyBQXVNDNMDQAQEU-UHFFFAOYSA-N
MW210.75 g/mol
LogP4.72
Rot. Bonds2

About 1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene

1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene (PubChem CID 139403949) has the molecular formula C13H19Cl and a molecular weight of 210.75 g/mol. Its IUPAC name is 1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene
PubChem CID139403949
Molecular FormulaC13H19Cl
Molecular Weight210.75 g/mol
Exact Mass210.12
IUPAC Name1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene
SMILESCc1cc(C)c(C(C)C(C)C)c(Cl)c1
InChIInChI=1S/C13H19Cl/c1-8(2)11(5)13-10(4)6-9(3)7-12(13)14/h6-8,11H,1-5H3
InChIKeyBQXVNDNMDQAQEU-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.75
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 79298168
2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
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1-chloro-2,3,5-trimethylbenzene;ethane
CID 142028955
2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene
CID 79307998
(1R)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81375595
1,3,5-trimethyl-2-(2-methylpentan-3-yl)benzene
CID 57184197
chloro-(2,4,6-trimethylphenyl)methanamine
CID 116947745
2,6-dichloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 65469512
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanamine
CID 43102640
(2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 115484494
2-(1-chloro-3-methylbutyl)-1,3,5-trimethylbenzene
CID 63431896
1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene
CID 165068605

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene?
The IUPAC name of 1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene (CID 139403949) is 1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene?
The canonical SMILES for 1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene is Cc1cc(C)c(C(C)C(C)C)c(Cl)c1.
What is the InChIKey of 1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene?
The InChIKey is BQXVNDNMDQAQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl/c1-8(2)11(5)13-10(4)6-9(3)7-12(13)14/h6-8,11H,1-5H3.
What are the key properties of 1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene?
1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene has a molecular weight of 210.75 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,5-dimethyl-2-(3-methylbutan-2-yl)benzene is sourced from PubChem (CID 139403949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).