2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid

C16H15FO3 — CID 105369808

IUPAC2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid
SMILESCc1ccc(F)cc1COc1c(C)cccc1C(=O)O
InChIInChI=1S/C16H15FO3/c1-10-6-7-13(17)8-12(10)9-20-15-11(2)4-3-5-14(15)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyGGUCVMVRSZGPEO-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.72
Rot. Bonds4

About 2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid

2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid (PubChem CID 105369808) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid
PubChem CID105369808
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid
SMILESCc1ccc(F)cc1COc1c(C)cccc1C(=O)O
InChIInChI=1S/C16H15FO3/c1-10-6-7-13(17)8-12(10)9-20-15-11(2)4-3-5-14(15)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyGGUCVMVRSZGPEO-UHFFFAOYSA-N
XLogP3.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-2-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 102855411
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
2-fluoro-6-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107013949
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
CID 82092575
3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 115955919
2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid
CID 60911444
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
(5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 105374623
3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002
3-bromo-2-[(2-methylphenyl)methoxy]benzoic acid
CID 61391214
3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 105369830

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid (CID 105369808) is 2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid is Cc1ccc(F)cc1COc1c(C)cccc1C(=O)O.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid?
The InChIKey is GGUCVMVRSZGPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-10-6-7-13(17)8-12(10)9-20-15-11(2)4-3-5-14(15)16(18)19/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid?
2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid has a molecular weight of 274.29 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid is sourced from PubChem (CID 105369808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).