3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid

C16H16O3 — CID 82051650

IUPAC3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
SMILESCc1cccc(COc2ccc(C(=O)O)cc2C)c1
InChIInChI=1S/C16H16O3/c1-11-4-3-5-13(8-11)10-19-15-7-6-14(16(17)18)9-12(15)2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyIJFFFSYTDJEWFR-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.58
Rot. Bonds4

About 3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid

3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid (PubChem CID 82051650) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
PubChem CID82051650
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
SMILESCc1cccc(COc2ccc(C(=O)O)cc2C)c1
InChIInChI=1S/C16H16O3/c1-11-4-3-5-13(8-11)10-19-15-7-6-14(16(17)18)9-12(15)2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyIJFFFSYTDJEWFR-UHFFFAOYSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
2-chloro-1-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]ethanone
CID 82051662
4-amino-3-[(3-methylphenyl)methoxy]benzoic acid
CID 43379889
3-[(2-chloro-4-methylphenoxy)methyl]benzoic acid
CID 62669913
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107673935
3-methyl-4-phenylmethoxybenzoyl chloride
CID 18995347
3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid
CID 63464346
3-methyl-4-(3-phenylpropoxy)benzoic acid
CID 62703449
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197
5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672
1-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one
CID 159779847

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid?
The IUPAC name of 3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid (CID 82051650) is 3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid?
The canonical SMILES for 3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid is Cc1cccc(COc2ccc(C(=O)O)cc2C)c1.
What is the InChIKey of 3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid?
The InChIKey is IJFFFSYTDJEWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-4-3-5-13(8-11)10-19-15-7-6-14(16(17)18)9-12(15)2/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid?
3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 82051650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).