2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene

C14H10Cl2F2O — CID 63434674

IUPAC2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)c2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C14H10Cl2F2O/c1-19-9-3-4-10(11(15)7-9)14(16)8-2-5-12(17)13(18)6-8/h2-7,14H,1H3
InChIKeyKLYBEEFPHDOVJN-UHFFFAOYSA-N
MW303.14 g/mol
LogP4.95
Rot. Bonds3

About 2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene

2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene (PubChem CID 63434674) has the molecular formula C14H10Cl2F2O and a molecular weight of 303.14 g/mol. Its IUPAC name is 2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene
PubChem CID63434674
Molecular FormulaC14H10Cl2F2O
Molecular Weight303.14 g/mol
Exact Mass302.01
IUPAC Name2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)c2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C14H10Cl2F2O/c1-19-9-3-4-10(11(15)7-9)14(16)8-2-5-12(17)13(18)6-8/h2-7,14H,1H3
InChIKeyKLYBEEFPHDOVJN-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene 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

2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene
CID 63434290
1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443486
2-chloro-1-[chloro-(3-chlorophenyl)methyl]-4-methoxybenzene
CID 63434425
2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63429186
1-[(4-tert-butylphenyl)-chloromethyl]-2-chloro-4-methoxybenzene
CID 63434462
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63743696
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63442538
1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443237
1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene
CID 63430104
1-[chloro-(3,4-difluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 61085061
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-1,2,3-trifluorobenzene
CID 63186404

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene?
The IUPAC name of 2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene (CID 63434674) is 2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene.
What is the SMILES notation for 2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene?
The canonical SMILES for 2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene is COc1ccc(C(Cl)c2ccc(F)c(F)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene?
The InChIKey is KLYBEEFPHDOVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2O/c1-19-9-3-4-10(11(15)7-9)14(16)8-2-5-12(17)13(18)6-8/h2-7,14H,1H3.
What are the key properties of 2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene?
2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene has a molecular weight of 303.14 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene is sourced from PubChem (CID 63434674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).