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

C14H12Cl2 — CID 82119406

IUPAC1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene
SMILESCc1cccc(-c2cc(CCl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl2/c1-10-3-2-4-12(7-10)13-8-11(9-15)5-6-14(13)16/h2-8H,9H2,1H3
InChIKeyDGHWYMCSBJIZLA-UHFFFAOYSA-N
MW251.16 g/mol
LogP5.05
Rot. Bonds2

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

1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene (PubChem CID 82119406) has the molecular formula C14H12Cl2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene
PubChem CID82119406
Molecular FormulaC14H12Cl2
Molecular Weight251.16 g/mol
Exact Mass250.03
IUPAC Name1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene
SMILESCc1cccc(-c2cc(CCl)ccc2Cl)c1
InChIInChI=1S/C14H12Cl2/c1-10-3-2-4-12(7-10)13-8-11(9-15)5-6-14(13)16/h2-8H,9H2,1H3
InChIKeyDGHWYMCSBJIZLA-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.16
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-(chloromethyl)-2-(3-methoxyphenyl)benzene
CID 82122933
1-chloro-4-(chloromethyl)-2-(2-methylphenyl)benzene
CID 82119405
2,5-dichloro-4-(3-methylphenyl)phenol
CID 107663307
4-ethyl-1-methyl-2-(3-methylphenyl)benzene
CID 91311090
4-benzyl-2-(3-methylphenyl)-1-phenylbenzene
CID 19607190
1-chloro-4-methyl-2-(3-methylsulfonylphenyl)benzene
CID 141198663
1-chloro-4-(chloromethyl)-2-methylbenzene
CID 524342
2-chloro-1-methyl-3-(3-methylphenyl)benzene
CID 141199898
3-chloro-4-(3-methylphenyl)benzonitrile
CID 172914817
3-(2-chloro-5-methylphenyl)benzonitrile
CID 70699759
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
CID 142401875
(4-chloro-3-phenylphenyl)methanamine
CID 39231703

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene?
The IUPAC name of 1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene (CID 82119406) is 1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene.
What is the SMILES notation for 1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene?
The canonical SMILES for 1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene is Cc1cccc(-c2cc(CCl)ccc2Cl)c1.
What is the InChIKey of 1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene?
The InChIKey is DGHWYMCSBJIZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2/c1-10-3-2-4-12(7-10)13-8-11(9-15)5-6-14(13)16/h2-8H,9H2,1H3.
What are the key properties of 1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene?
1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene has a molecular weight of 251.16 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene is sourced from PubChem (CID 82119406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).