8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid

C20H16O5 — CID 67896407

IUPAC8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)ccc1Cc1cccc2ccc(C(=O)O)cc12
InChIInChI=1S/C20H16O5/c1-25-18-11-16(20(23)24)8-6-14(18)9-13-4-2-3-12-5-7-15(19(21)22)10-17(12)13/h2-8,10-11H,9H2,1H3,(H,21,22)(H,23,24)
InChIKeyAEIVDUWTFHKPFY-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.84
Rot. Bonds5

About 8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid

8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid (PubChem CID 67896407) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is 8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid
PubChem CID67896407
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Name8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)ccc1Cc1cccc2ccc(C(=O)O)cc12
InChIInChI=1S/C20H16O5/c1-25-18-11-16(20(23)24)8-6-14(18)9-13-4-2-3-12-5-7-15(19(21)22)10-17(12)13/h2-8,10-11H,9H2,1H3,(H,21,22)(H,23,24)
InChIKeyAEIVDUWTFHKPFY-UHFFFAOYSA-N
XLogP3.84
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(7-carbamoylnaphthalen-1-yl)methyl]-3-methoxybenzoic acid
CID 19906374
3-methoxy-4-[[7-[(Z)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]naphthalen-1-yl]methyl]benzoic acid
CID 67896435
4-[[7-[5-(dimethylamino)-5-oxopentyl]naphthalen-1-yl]methyl]-3-methoxybenzoic acid
CID 19906361
8-ethylnaphthalene-2-carboxylic acid
CID 151555828
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid
CID 177288276
5,6,7-trimethoxyphenanthrene-3-carboxylic acid
CID 174758536
methyl 4-[[7-[5-(dimethylamino)-5-oxopent-1-enyl]naphthalen-1-yl]methyl]-3-methoxybenzoate
CID 54134676
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
6-methoxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid
CID 102239387
3-methoxy-4-(propan-2-yloxymethyl)benzoic acid
CID 117219897
3,4-dimethoxybenzoic acid;methanol
CID 144580050

Frequently Asked Questions

What is the IUPAC name of 8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid?
The IUPAC name of 8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid (CID 67896407) is 8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid is COc1cc(C(=O)O)ccc1Cc1cccc2ccc(C(=O)O)cc12.
What is the InChIKey of 8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid?
The InChIKey is AEIVDUWTFHKPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5/c1-25-18-11-16(20(23)24)8-6-14(18)9-13-4-2-3-12-5-7-15(19(21)22)10-17(12)13/h2-8,10-11H,9H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid?
8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid has a molecular weight of 336.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 67896407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).