1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene

C15H14F2O2 — CID 174501596

IUPAC1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene
SMILESCOc1ccc(-c2ccc(F)c(F)c2)c(C)c1OC
InChIInChI=1S/C15H14F2O2/c1-9-11(5-7-14(18-2)15(9)19-3)10-4-6-12(16)13(17)8-10/h4-8H,1-3H3
InChIKeyBBFRAQUXCHPHRW-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.96
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene

1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene (PubChem CID 174501596) has the molecular formula C15H14F2O2 and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene
PubChem CID174501596
Molecular FormulaC15H14F2O2
Molecular Weight264.27 g/mol
Exact Mass264.10
IUPAC Name1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene
SMILESCOc1ccc(-c2ccc(F)c(F)c2)c(C)c1OC
InChIInChI=1S/C15H14F2O2/c1-9-11(5-7-14(18-2)15(9)19-3)10-4-6-12(16)13(17)8-10/h4-8H,1-3H3
InChIKeyBBFRAQUXCHPHRW-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene 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-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene
CID 174501482
1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene
CID 118188502
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline
CID 61025129
4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene
CID 82123483
1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene;nonakis(1-(2-fluoro-4-methylphenyl)-2,3,4-trimethylbenzene)
CID 159688395
1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
CID 57161799
5-chloro-2-(3-fluoro-4-methoxyphenyl)aniline
CID 81274573
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
(E)-3-[3-(3,4-difluorophenyl)-4,5-dimethoxyphenyl]but-2-enoic acid
CID 110447040
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde
CID 164891680

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene?
The IUPAC name of 1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene (CID 174501596) is 1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene?
The canonical SMILES for 1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene is COc1ccc(-c2ccc(F)c(F)c2)c(C)c1OC.
What is the InChIKey of 1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene?
The InChIKey is BBFRAQUXCHPHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O2/c1-9-11(5-7-14(18-2)15(9)19-3)10-4-6-12(16)13(17)8-10/h4-8H,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene?
1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene has a molecular weight of 264.27 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene is sourced from PubChem (CID 174501596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).