1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid

C18H14O4 — CID 174552806

IUPAC1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)c(O)c2ccccc12
InChIInChI=1S/C18H14O4/c1-22-16-9-5-4-7-12(16)14-10-15(18(20)21)17(19)13-8-3-2-6-11(13)14/h2-10,19H,1H3,(H,20,21)
InChIKeyPMRQYRMFYNAFFM-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.92
Rot. Bonds3

About 1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid

1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid (PubChem CID 174552806) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid
PubChem CID174552806
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)c(O)c2ccccc12
InChIInChI=1S/C18H14O4/c1-22-16-9-5-4-7-12(16)14-10-15(18(20)21)17(19)13-8-3-2-6-11(13)14/h2-10,19H,1H3,(H,20,21)
InChIKeyPMRQYRMFYNAFFM-UHFFFAOYSA-N
XLogP3.92
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid
CID 23464074
1,4-dimethoxy-2-(2-methoxyphenyl)naphthalene
CID 161363992
4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid
CID 174875229
4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid
CID 19604448
3-(2-methoxyphenyl)-2-nitrobenzoic acid
CID 141393967
1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 20521545
1-(2-chlorophenyl)-4-methoxynaphthalene-2-carboxylic acid
CID 165354130

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid?
The IUPAC name of 1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid (CID 174552806) is 1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid is COc1ccccc1-c1cc(C(=O)O)c(O)c2ccccc12.
What is the InChIKey of 1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid?
The InChIKey is PMRQYRMFYNAFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-22-16-9-5-4-7-12(16)14-10-15(18(20)21)17(19)13-8-3-2-6-11(13)14/h2-10,19H,1H3,(H,20,21).
What are the key properties of 1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid?
1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 174552806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).