2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene

C14H12Cl2 — CID 70919846

IUPAC2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene
SMILESCc1ccc(-c2ccc(Cl)cc2C)cc1Cl
InChIInChI=1S/C14H12Cl2/c1-9-3-4-11(8-14(9)16)13-6-5-12(15)7-10(13)2/h3-8H,1-2H3
InChIKeyZESNQPVKXFJPEH-UHFFFAOYSA-N
MW251.16 g/mol
LogP5.28
Rot. Bonds1

About 2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene

2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene (PubChem CID 70919846) has the molecular formula C14H12Cl2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene
PubChem CID70919846
Molecular FormulaC14H12Cl2
Molecular Weight251.16 g/mol
Exact Mass250.03
IUPAC Name2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene
SMILESCc1ccc(-c2ccc(Cl)cc2C)cc1Cl
InChIInChI=1S/C14H12Cl2/c1-9-3-4-11(8-14(9)16)13-6-5-12(15)7-10(13)2/h3-8H,1-2H3
InChIKeyZESNQPVKXFJPEH-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.16
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene
CID 131990321
1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene
CID 71242096
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
4-(4-chloro-2-methylphenyl)-2-methylaniline
CID 172652420
sodium 4-(4-chloro-2-methylphenyl)phenolate
CID 174930978
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
3-(4-chloro-2-methylphenyl)aniline
CID 172652401
1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene
CID 91338289
5-(2,4-dichlorophenyl)-2-methylbenzoic acid
CID 65307021
4-(4-chloro-2-methylphenyl)-2-ethylaniline
CID 172652422
1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene
CID 134625893
N-[[4-chloro-2-(3-chloro-4-methylphenyl)phenyl]methyl]propan-1-amine
CID 115504137

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene?
The IUPAC name of 2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene (CID 70919846) is 2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene.
What is the SMILES notation for 2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene?
The canonical SMILES for 2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene is Cc1ccc(-c2ccc(Cl)cc2C)cc1Cl.
What is the InChIKey of 2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene?
The InChIKey is ZESNQPVKXFJPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2/c1-9-3-4-11(8-14(9)16)13-6-5-12(15)7-10(13)2/h3-8H,1-2H3.
What are the key properties of 2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene?
2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene has a molecular weight of 251.16 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene is sourced from PubChem (CID 70919846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).