3,4-difluoro-2-phenylmethoxybenzoic acid

C14H10F2O3 — CID 151244602

IUPAC3,4-difluoro-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(F)c(F)c1OCc1ccccc1
InChIInChI=1S/C14H10F2O3/c15-11-7-6-10(14(17)18)13(12(11)16)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyNRANTLXCRFTFED-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.24
Rot. Bonds4

About 3,4-difluoro-2-phenylmethoxybenzoic acid

3,4-difluoro-2-phenylmethoxybenzoic acid (PubChem CID 151244602) has the molecular formula C14H10F2O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is 3,4-difluoro-2-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name3,4-difluoro-2-phenylmethoxybenzoic acid
PubChem CID151244602
Molecular FormulaC14H10F2O3
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name3,4-difluoro-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(F)c(F)c1OCc1ccccc1
InChIInChI=1S/C14H10F2O3/c15-11-7-6-10(14(17)18)13(12(11)16)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChIKeyNRANTLXCRFTFED-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4-difluoro-2-phenylmethoxybenzoic acid 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

2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
4-chloro-2-fluoro-3-phenylmethoxybenzoic acid
CID 164891597
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
3,4-difluoro-2-phenylmethoxyaniline
CID 62532181
2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
CID 23450801
2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
CID 65124992
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
3,5-dihydroxy-2-phenylmethoxybenzoic acid
CID 118873136
5-fluoro-2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
CID 19888148
2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
2,3,4-trifluoro-N-phenylmethoxybenzamide
CID 79749238
CID 6334341
CID 6334341

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-phenylmethoxybenzoic acid?
The IUPAC name of 3,4-difluoro-2-phenylmethoxybenzoic acid (CID 151244602) is 3,4-difluoro-2-phenylmethoxybenzoic acid.
What is the SMILES notation for 3,4-difluoro-2-phenylmethoxybenzoic acid?
The canonical SMILES for 3,4-difluoro-2-phenylmethoxybenzoic acid is O=C(O)c1ccc(F)c(F)c1OCc1ccccc1.
What is the InChIKey of 3,4-difluoro-2-phenylmethoxybenzoic acid?
The InChIKey is NRANTLXCRFTFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3/c15-11-7-6-10(14(17)18)13(12(11)16)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18).
What are the key properties of 3,4-difluoro-2-phenylmethoxybenzoic acid?
3,4-difluoro-2-phenylmethoxybenzoic acid has a molecular weight of 264.23 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-phenylmethoxybenzoic acid is sourced from PubChem (CID 151244602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).