4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid

C15H12F2O3 — CID 107673935

IUPAC4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1OCc1c(F)cccc1F
InChIInChI=1S/C15H12F2O3/c1-9-7-10(15(18)19)5-6-14(9)20-8-11-12(16)3-2-4-13(11)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyMUUXCSIECYPCPJ-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.55
Rot. Bonds4

About 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid

4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid (PubChem CID 107673935) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid
PubChem CID107673935
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1OCc1c(F)cccc1F
InChIInChI=1S/C15H12F2O3/c1-9-7-10(15(18)19)5-6-14(9)20-8-11-12(16)3-2-4-13(11)17/h2-7H,8H2,1H3,(H,18,19)
InChIKeyMUUXCSIECYPCPJ-UHFFFAOYSA-N
XLogP3.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,3-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107674089
4-[2-(2-fluorophenoxy)ethoxy]-3-methylbenzoic acid
CID 104651443
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
CID 82051650
4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid
CID 22685655
4-[(3-cyano-2-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 107673922
3-[(4-chloro-2-methylphenoxy)methyl]-4-fluorobenzoic acid
CID 63531486
4-(2-fluoroethoxy)-3-methylbenzoic acid
CID 107673859
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 114930150
3-fluoro-4-[(2-methylphenoxy)methyl]benzoic acid
CID 63073082
4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid
CID 61496257
4-[(2-bromo-4-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 107673708

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid?
The IUPAC name of 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid (CID 107673935) is 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid?
The canonical SMILES for 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1OCc1c(F)cccc1F.
What is the InChIKey of 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid?
The InChIKey is MUUXCSIECYPCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-9-7-10(15(18)19)5-6-14(9)20-8-11-12(16)3-2-4-13(11)17/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid?
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid has a molecular weight of 278.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid is sourced from PubChem (CID 107673935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).