5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid

C16H16O3 — CID 25109956

IUPAC5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
SMILESCc1ccc(OCc2ccccc2C)c(C(=O)O)c1
InChIInChI=1S/C16H16O3/c1-11-7-8-15(14(9-11)16(17)18)19-10-13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyVQPRIEKFSMZOSW-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.58
Rot. Bonds4

About 5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid

5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid (PubChem CID 25109956) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
PubChem CID25109956
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
SMILESCc1ccc(OCc2ccccc2C)c(C(=O)O)c1
InChIInChI=1S/C16H16O3/c1-11-7-8-15(14(9-11)16(17)18)19-10-13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyVQPRIEKFSMZOSW-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

5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid
CID 45447311
4-bromo-3-[(2-methylphenyl)methoxy]benzoic acid
CID 114103815
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid
CID 60711590
5-chloro-2-[(2-methylphenyl)methoxy]benzoyl chloride
CID 46779753
2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221035
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
CID 60652984
3-bromo-2-[(2-methylphenyl)methoxy]benzoic acid
CID 61391214
2-(2-fluoroethoxy)-5-methylbenzoic acid
CID 51357094
2-(1,3-benzothiazol-2-ylmethoxy)-5-methylbenzoic acid
CID 60652782
2-bromo-1-[2-[(4-bromo-2-methylphenyl)methoxy]-5-methylphenyl]ethanone
CID 89407372

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid?
The IUPAC name of 5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid (CID 25109956) is 5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid?
The canonical SMILES for 5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid is Cc1ccc(OCc2ccccc2C)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid?
The InChIKey is VQPRIEKFSMZOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-7-8-15(14(9-11)16(17)18)19-10-13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid?
5-methyl-2-[(2-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 5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 25109956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).