3-[4-(difluoromethoxy)phenyl]benzoic acid

C14H10F2O3 — CID 71025160

IUPAC3-[4-(difluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C14H10F2O3/c15-14(16)19-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(17)18/h1-8,14H,(H,17,18)
InChIKeyQACYJMLDMCQUHY-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.65
Rot. Bonds4

About 3-[4-(difluoromethoxy)phenyl]benzoic acid

3-[4-(difluoromethoxy)phenyl]benzoic acid (PubChem CID 71025160) has the molecular formula C14H10F2O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]benzoic acid
PubChem CID71025160
Molecular FormulaC14H10F2O3
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name3-[4-(difluoromethoxy)phenyl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C14H10F2O3/c15-14(16)19-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(17)18/h1-8,14H,(H,17,18)
InChIKeyQACYJMLDMCQUHY-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-carboxyphenyl)benzoic acid
CID 11550488
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
3-(difluoromethoxy)-5-(3-methylphenyl)benzoic acid
CID 171382796
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-[4-(difluoromethoxy)phenyl]-N-[4-(trifluoromethylsulfonyl)phenyl]benzamide
CID 173419031
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
3-(4-chlorophenyl)benzoic acid
CID 2757419
3-(4-chlorophenyl)-5-(difluoromethoxy)benzoic acid
CID 171382807
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzoic acid
CID 102823742
3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid
CID 171115617

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]benzoic acid?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]benzoic acid (CID 71025160) is 3-[4-(difluoromethoxy)phenyl]benzoic acid.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]benzoic acid?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]benzoic acid is O=C(O)c1cccc(-c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]benzoic acid?
The InChIKey is QACYJMLDMCQUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3/c15-14(16)19-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(17)18/h1-8,14H,(H,17,18).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]benzoic acid?
3-[4-(difluoromethoxy)phenyl]benzoic acid has a molecular weight of 264.23 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]benzoic acid is sourced from PubChem (CID 71025160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).