3-methyl-4-phenylmethoxybenzoic acid

C15H14O3 — CID 53471145

IUPAC3-methyl-4-phenylmethoxybenzoic acid
SMILESCc1cc(C(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C15H14O3/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyNLQKPMZDWHTVCF-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.27
Rot. Bonds4

About 3-methyl-4-phenylmethoxybenzoic acid

3-methyl-4-phenylmethoxybenzoic acid (PubChem CID 53471145) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-methyl-4-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name3-methyl-4-phenylmethoxybenzoic acid
PubChem CID53471145
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name3-methyl-4-phenylmethoxybenzoic acid
SMILESCc1cc(C(=O)O)ccc1OCc1ccccc1
InChIInChI=1S/C15H14O3/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyNLQKPMZDWHTVCF-UHFFFAOYSA-N
XLogP3.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
CID 82051650
3-methyl-4-phenylmethoxybenzoyl chloride
CID 18995347
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197
3-methyl-4-(3-phenylpropoxy)benzoic acid
CID 62703449
2-isocyano-1-(3-methyl-4-phenylmethoxyphenyl)ethanone
CID 88950115
(Z)-3-(dimethylamino)-2-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 166747703
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107673935
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
4-methyl-3-(phenylmethoxymethoxy)benzoic acid
CID 102939348
2-(3-methyl-4-phenylmethoxyphenyl)acetamide
CID 67539296

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenylmethoxybenzoic acid?
The IUPAC name of 3-methyl-4-phenylmethoxybenzoic acid (CID 53471145) is 3-methyl-4-phenylmethoxybenzoic acid.
What is the SMILES notation for 3-methyl-4-phenylmethoxybenzoic acid?
The canonical SMILES for 3-methyl-4-phenylmethoxybenzoic acid is Cc1cc(C(=O)O)ccc1OCc1ccccc1.
What is the InChIKey of 3-methyl-4-phenylmethoxybenzoic acid?
The InChIKey is NLQKPMZDWHTVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 3-methyl-4-phenylmethoxybenzoic acid?
3-methyl-4-phenylmethoxybenzoic acid has a molecular weight of 242.27 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenylmethoxybenzoic acid is sourced from PubChem (CID 53471145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).