1-chloro-2-methyl-3-(4-methylphenyl)benzene

C14H13Cl — CID 164892944

IUPAC1-chloro-2-methyl-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(Cl)c2C)cc1
InChIInChI=1S/C14H13Cl/c1-10-6-8-12(9-7-10)13-4-3-5-14(15)11(13)2/h3-9H,1-2H3
InChIKeyRKNBFYTYGFGOHQ-UHFFFAOYSA-N
MW216.71 g/mol
LogP4.62
Rot. Bonds1

About 1-chloro-2-methyl-3-(4-methylphenyl)benzene

1-chloro-2-methyl-3-(4-methylphenyl)benzene (PubChem CID 164892944) has the molecular formula C14H13Cl and a molecular weight of 216.71 g/mol. Its IUPAC name is 1-chloro-2-methyl-3-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-chloro-2-methyl-3-(4-methylphenyl)benzene
PubChem CID164892944
Molecular FormulaC14H13Cl
Molecular Weight216.71 g/mol
Exact Mass216.07
IUPAC Name1-chloro-2-methyl-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(Cl)c2C)cc1
InChIInChI=1S/C14H13Cl/c1-10-6-8-12(9-7-10)13-4-3-5-14(15)11(13)2/h3-9H,1-2H3
InChIKeyRKNBFYTYGFGOHQ-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
CID 157107498
1-chloro-2,3-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 170132314
4-[4-(3-chloro-2-methylphenyl)phenyl]butan-2-amine
CID 82541745
1-[4-(3-chloro-2-methylphenyl)phenyl]-3-methylbutan-2-one
CID 82540979
2-(3-chloro-2-methylphenyl)-4-methylphenol
CID 159941781
5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid
CID 53223446
1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 58058665
1-[4-(2,3-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 144502475
1,3-bis(4-fluorophenyl)-2-methylbenzene
CID 58586629
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
5-(3-chloro-2-methylphenyl)pyridine-3-carbaldehyde
CID 96599344
2-chloro-3-(4-methylphenyl)pyridine
CID 82076857

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-3-(4-methylphenyl)benzene?
The IUPAC name of 1-chloro-2-methyl-3-(4-methylphenyl)benzene (CID 164892944) is 1-chloro-2-methyl-3-(4-methylphenyl)benzene.
What is the SMILES notation for 1-chloro-2-methyl-3-(4-methylphenyl)benzene?
The canonical SMILES for 1-chloro-2-methyl-3-(4-methylphenyl)benzene is Cc1ccc(-c2cccc(Cl)c2C)cc1.
What is the InChIKey of 1-chloro-2-methyl-3-(4-methylphenyl)benzene?
The InChIKey is RKNBFYTYGFGOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl/c1-10-6-8-12(9-7-10)13-4-3-5-14(15)11(13)2/h3-9H,1-2H3.
What are the key properties of 1-chloro-2-methyl-3-(4-methylphenyl)benzene?
1-chloro-2-methyl-3-(4-methylphenyl)benzene has a molecular weight of 216.71 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-3-(4-methylphenyl)benzene is sourced from PubChem (CID 164892944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).