3-fluoro-4-methyl-5-phenylmethoxybenzoic acid

C15H13FO3 — CID 67217575

IUPAC3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
SMILESCc1c(F)cc(C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C15H13FO3/c1-10-13(16)7-12(15(17)18)8-14(10)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyMGTOQBFIUUWOKP-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.41
Rot. Bonds4

About 3-fluoro-4-methyl-5-phenylmethoxybenzoic acid

3-fluoro-4-methyl-5-phenylmethoxybenzoic acid (PubChem CID 67217575) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
PubChem CID67217575
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
SMILESCc1c(F)cc(C(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C15H13FO3/c1-10-13(16)7-12(15(17)18)8-14(10)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyMGTOQBFIUUWOKP-UHFFFAOYSA-N
XLogP3.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
CID 164895178
(3-fluoro-4-methyl-5-phenylmethoxyphenyl)boronic acid
CID 163353611
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
2-fluoro-5-methyl-4-phenylmethoxybenzoic acid
CID 163198021
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944
ethyl 2-(3-fluoro-4-phenylmethoxyphenyl)-2-oxoacetate
CID 117486957
3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-fluoro-4-methyl-5-phenylmethoxybenzamide
CID 67217582
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
3-[(2-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 113435752

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-phenylmethoxybenzoic acid?
The IUPAC name of 3-fluoro-4-methyl-5-phenylmethoxybenzoic acid (CID 67217575) is 3-fluoro-4-methyl-5-phenylmethoxybenzoic acid.
What is the SMILES notation for 3-fluoro-4-methyl-5-phenylmethoxybenzoic acid?
The canonical SMILES for 3-fluoro-4-methyl-5-phenylmethoxybenzoic acid is Cc1c(F)cc(C(=O)O)cc1OCc1ccccc1.
What is the InChIKey of 3-fluoro-4-methyl-5-phenylmethoxybenzoic acid?
The InChIKey is MGTOQBFIUUWOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-10-13(16)7-12(15(17)18)8-14(10)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 3-fluoro-4-methyl-5-phenylmethoxybenzoic acid?
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid has a molecular weight of 260.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-phenylmethoxybenzoic acid is sourced from PubChem (CID 67217575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).