4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid

C15H12F2O4 — CID 43233816

IUPAC4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCc1cccc(F)c1F
InChIInChI=1S/C15H12F2O4/c1-20-13-7-9(15(18)19)5-6-12(13)21-8-10-3-2-4-11(16)14(10)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyLAEROGMTYOELMC-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.25
Rot. Bonds5

About 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid

4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid (PubChem CID 43233816) has the molecular formula C15H12F2O4 and a molecular weight of 294.25 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid
PubChem CID43233816
Molecular FormulaC15H12F2O4
Molecular Weight294.25 g/mol
Exact Mass294.07
IUPAC Name4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCc1cccc(F)c1F
InChIInChI=1S/C15H12F2O4/c1-20-13-7-9(15(18)19)5-6-12(13)21-8-10-3-2-4-11(16)14(10)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyLAEROGMTYOELMC-UHFFFAOYSA-N
XLogP3.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,3-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107674089
3-bromo-4-[(2,3-difluorophenyl)methoxy]benzoic acid
CID 60711645
3-fluoro-4-[(2-methoxyphenoxy)methyl]benzoic acid
CID 63072909
4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxybenzoic acid
CID 11617344
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile
CID 43231298
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
3-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methoxybenzoic acid
CID 17059187
2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid
CID 80742274
4-[(3-cyano-2-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 107673922
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid?
The IUPAC name of 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid (CID 43233816) is 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid?
The canonical SMILES for 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1OCc1cccc(F)c1F.
What is the InChIKey of 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid?
The InChIKey is LAEROGMTYOELMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O4/c1-20-13-7-9(15(18)19)5-6-12(13)21-8-10-3-2-4-11(16)14(10)17/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid?
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid has a molecular weight of 294.25 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid is sourced from PubChem (CID 43233816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).