1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene

C14H12Cl2O — CID 119003875

IUPAC1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene
SMILESCOc1cc(-c2c(Cl)cccc2Cl)ccc1C
InChIInChI=1S/C14H12Cl2O/c1-9-6-7-10(8-13(9)17-2)14-11(15)4-3-5-12(14)16/h3-8H,1-2H3
InChIKeyDNLCHGAAULBQKA-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.98
Rot. Bonds2

About 1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene

1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene (PubChem CID 119003875) has the molecular formula C14H12Cl2O and a molecular weight of 267.16 g/mol. Its IUPAC name is 1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene
PubChem CID119003875
Molecular FormulaC14H12Cl2O
Molecular Weight267.16 g/mol
Exact Mass266.03
IUPAC Name1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene
SMILESCOc1cc(-c2c(Cl)cccc2Cl)ccc1C
InChIInChI=1S/C14H12Cl2O/c1-9-6-7-10(8-13(9)17-2)14-11(15)4-3-5-12(14)16/h3-8H,1-2H3
InChIKeyDNLCHGAAULBQKA-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dichloro-2-(3-methoxy-4-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

1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494
1-chloro-2-(3-chloro-4-methylphenyl)-3-methylbenzene
CID 66252192
1,3,5-tris(2,6-dichlorophenyl)benzene
CID 134437988
4-(2,6-dichlorophenyl)-2-methylaniline
CID 170906772
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
4-(4-fluorophenyl)-2-methoxy-1-methylbenzene
CID 46313029
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143
4-(2,6-dichlorophenyl)-2-methoxypyridine
CID 118852441
2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115830327
5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid
CID 116810848
3-(3-methoxy-4-methylphenyl)benzoic acid
CID 53216637

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene?
The IUPAC name of 1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene (CID 119003875) is 1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene is COc1cc(-c2c(Cl)cccc2Cl)ccc1C.
What is the InChIKey of 1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene?
The InChIKey is DNLCHGAAULBQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O/c1-9-6-7-10(8-13(9)17-2)14-11(15)4-3-5-12(14)16/h3-8H,1-2H3.
What are the key properties of 1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene?
1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene has a molecular weight of 267.16 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene is sourced from PubChem (CID 119003875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).