5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid

C19H16O3 — CID 53405469

IUPAC5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid
SMILESCOc1ccc(-c2ccc(C)c3ccccc23)c(C(=O)O)c1
InChIInChI=1S/C19H16O3/c1-12-7-9-16(15-6-4-3-5-14(12)15)17-10-8-13(22-2)11-18(17)19(20)21/h3-11H,1-2H3,(H,20,21)
InChIKeyAOYIQDLSQLZLJF-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.52
Rot. Bonds3

About 5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid

5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid (PubChem CID 53405469) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid
PubChem CID53405469
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid
SMILESCOc1ccc(-c2ccc(C)c3ccccc23)c(C(=O)O)c1
InChIInChI=1S/C19H16O3/c1-12-7-9-16(15-6-4-3-5-14(12)15)17-10-8-13(22-2)11-18(17)19(20)21/h3-11H,1-2H3,(H,20,21)
InChIKeyAOYIQDLSQLZLJF-UHFFFAOYSA-N
XLogP4.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
CID 54912716
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-methyl-3-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405299
2-(1,5-dimethylpyrazol-4-yl)-5-methoxybenzoic acid
CID 66098475
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
2-(2-chloro-4,5-difluorophenyl)-5-methoxybenzoic acid
CID 107476776
5-methoxy-2-quinolin-2-ylbenzoic acid
CID 116644950
2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid
CID 53226719
CID 171375610
CID 171375610
5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
CID 121230012
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid?
The IUPAC name of 5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid (CID 53405469) is 5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid.
What is the SMILES notation for 5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid?
The canonical SMILES for 5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid is COc1ccc(-c2ccc(C)c3ccccc23)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid?
The InChIKey is AOYIQDLSQLZLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-12-7-9-16(15-6-4-3-5-14(12)15)17-10-8-13(22-2)11-18(17)19(20)21/h3-11H,1-2H3,(H,20,21).
What are the key properties of 5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid?
5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid is sourced from PubChem (CID 53405469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).