4-[(3,5-difluorophenyl)methoxy]benzoic acid

C14H10F2O3 — CID 112694437

IUPAC4-[(3,5-difluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H10F2O3/c15-11-5-9(6-12(16)7-11)8-19-13-3-1-10(2-4-13)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyDXUJKMOMZHHRFO-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.24
Rot. Bonds4

About 4-[(3,5-difluorophenyl)methoxy]benzoic acid

4-[(3,5-difluorophenyl)methoxy]benzoic acid (PubChem CID 112694437) has the molecular formula C14H10F2O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methoxy]benzoic acid
PubChem CID112694437
Molecular FormulaC14H10F2O3
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name4-[(3,5-difluorophenyl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H10F2O3/c15-11-5-9(6-12(16)7-11)8-19-13-3-1-10(2-4-13)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyDXUJKMOMZHHRFO-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

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Related Compounds

4-phenylmethoxybenzoic acid
CID 68896574
1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
CID 105403559
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102615075
4-[[3-[[3-[[4-bis[4-[[3,5-bis[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]phosphanylphenoxy]methyl]-5-[[3,5-bis[(4-carboxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(4-carboxyphenyl)methoxy]phenoxy]methyl]benzoic acid
CID 102588787
5-[(4-fluorophenoxy)methyl]pyridine-3-carboxylic acid
CID 117212713
3-[(3,5-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 63073644

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methoxy]benzoic acid?
The IUPAC name of 4-[(3,5-difluorophenyl)methoxy]benzoic acid (CID 112694437) is 4-[(3,5-difluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 4-[(3,5-difluorophenyl)methoxy]benzoic acid is O=C(O)c1ccc(OCc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methoxy]benzoic acid?
The InChIKey is DXUJKMOMZHHRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3/c15-11-5-9(6-12(16)7-11)8-19-13-3-1-10(2-4-13)14(17)18/h1-7H,8H2,(H,17,18).
What are the key properties of 4-[(3,5-difluorophenyl)methoxy]benzoic acid?
4-[(3,5-difluorophenyl)methoxy]benzoic 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 4-[(3,5-difluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 112694437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).