1-chloro-3-methyl-5-(3-methylpentyl)benzene

C13H19Cl — CID 170769556

IUPAC1-chloro-3-methyl-5-(3-methylpentyl)benzene
SMILESCCC(C)CCc1cc(C)cc(Cl)c1
InChIInChI=1S/C13H19Cl/c1-4-10(2)5-6-12-7-11(3)8-13(14)9-12/h7-10H,4-6H2,1-3H3
InChIKeyOSYNMGSGUZHWGS-UHFFFAOYSA-N
MW210.75 g/mol
LogP4.63
Rot. Bonds4

About 1-chloro-3-methyl-5-(3-methylpentyl)benzene

1-chloro-3-methyl-5-(3-methylpentyl)benzene (PubChem CID 170769556) has the molecular formula C13H19Cl and a molecular weight of 210.75 g/mol. Its IUPAC name is 1-chloro-3-methyl-5-(3-methylpentyl)benzene.

Molecular Properties

Compound Name1-chloro-3-methyl-5-(3-methylpentyl)benzene
PubChem CID170769556
Molecular FormulaC13H19Cl
Molecular Weight210.75 g/mol
Exact Mass210.12
IUPAC Name1-chloro-3-methyl-5-(3-methylpentyl)benzene
SMILESCCC(C)CCc1cc(C)cc(Cl)c1
InChIInChI=1S/C13H19Cl/c1-4-10(2)5-6-12-7-11(3)8-13(14)9-12/h7-10H,4-6H2,1-3H3
InChIKeyOSYNMGSGUZHWGS-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.75
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-4-(3-chloro-5-methylphenyl)butan-2-amine
CID 130649433
1-chloro-3-(3-methylpentyl)benzene
CID 57308391
3-(3-chloro-5-methylphenyl)propan-1-amine
CID 83696794
O-[2-(3-chloro-5-methylphenyl)ethyl]hydroxylamine
CID 117280299
1-chloro-2-methyl-4-(3-methylpentyl)benzene
CID 91237561
1,3,5-tris(4-methylhexyl)benzene
CID 101071559
1,3-dichloro-5-(4-methylpentyl)benzene
CID 20672445
1-(3,5-dimethylphenyl)pentan-3-amine
CID 61028889
2,4-dichloro-6-(3-methylpentyl)phenol
CID 143655603
1-(3-chloro-5-methylphenyl)propan-1-ol
CID 115787792
1-bromo-4-(3-methylpentyl)benzene
CID 156726956
4-(3-methylpentyl)phenol
CID 57225129

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-5-(3-methylpentyl)benzene?
The IUPAC name of 1-chloro-3-methyl-5-(3-methylpentyl)benzene (CID 170769556) is 1-chloro-3-methyl-5-(3-methylpentyl)benzene.
What is the SMILES notation for 1-chloro-3-methyl-5-(3-methylpentyl)benzene?
The canonical SMILES for 1-chloro-3-methyl-5-(3-methylpentyl)benzene is CCC(C)CCc1cc(C)cc(Cl)c1.
What is the InChIKey of 1-chloro-3-methyl-5-(3-methylpentyl)benzene?
The InChIKey is OSYNMGSGUZHWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl/c1-4-10(2)5-6-12-7-11(3)8-13(14)9-12/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-chloro-3-methyl-5-(3-methylpentyl)benzene?
1-chloro-3-methyl-5-(3-methylpentyl)benzene has a molecular weight of 210.75 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-5-(3-methylpentyl)benzene is sourced from PubChem (CID 170769556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).