4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene

C15H13Cl2FO — CID 63434447

IUPAC4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
SMILESCOc1ccc(C(Cl)c2cc(Cl)ccc2F)cc1C
InChIInChI=1S/C15H13Cl2FO/c1-9-7-10(3-6-14(9)19-2)15(17)12-8-11(16)4-5-13(12)18/h3-8,15H,1-2H3
InChIKeyAYEKCFQZGNQQNW-UHFFFAOYSA-N
MW299.17 g/mol
LogP5.12
Rot. Bonds3

About 4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene

4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene (PubChem CID 63434447) has the molecular formula C15H13Cl2FO and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene.

Molecular Properties

Compound Name4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
PubChem CID63434447
Molecular FormulaC15H13Cl2FO
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
SMILESCOc1ccc(C(Cl)c2cc(Cl)ccc2F)cc1C
InChIInChI=1S/C15H13Cl2FO/c1-9-7-10(3-6-14(9)19-2)15(17)12-8-11(16)4-5-13(12)18/h3-8,15H,1-2H3
InChIKeyAYEKCFQZGNQQNW-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.17
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene 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

4-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434154
4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427370
(5-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61081454
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296595
2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene
CID 113425550
1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 62865699
4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434748
2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene
CID 114028096
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene
CID 63434490
1-[chloro-(3,4-difluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 61085061
4-[bromo-(3-chloro-4-fluorophenyl)methyl]-1-methoxy-2-methylbenzene
CID 82878606
1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene
CID 113425541

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene?
The IUPAC name of 4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene (CID 63434447) is 4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene.
What is the SMILES notation for 4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene?
The canonical SMILES for 4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene is COc1ccc(C(Cl)c2cc(Cl)ccc2F)cc1C.
What is the InChIKey of 4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene?
The InChIKey is AYEKCFQZGNQQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO/c1-9-7-10(3-6-14(9)19-2)15(17)12-8-11(16)4-5-13(12)18/h3-8,15H,1-2H3.
What are the key properties of 4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene?
4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene has a molecular weight of 299.17 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene is sourced from PubChem (CID 63434447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).