3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid

C23H16O4 — CID 25069442

IUPAC3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1
InChIInChI=1S/C23H16O4/c24-19-6-2-3-14(13-19)15-7-9-20-16(11-15)8-10-21(25)22(20)17-4-1-5-18(12-17)23(26)27/h1-13,24-25H,(H,26,27)
InChIKeyGLYHXPGSXJQTTN-UHFFFAOYSA-N
MW356.38 g/mol
LogP5.28
Rot. Bonds3

About 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid

3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid (PubChem CID 25069442) has the molecular formula C23H16O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid
PubChem CID25069442
Molecular FormulaC23H16O4
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC Name3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1
InChIInChI=1S/C23H16O4/c24-19-6-2-3-14(13-19)15-7-9-20-16(11-15)8-10-21(25)22(20)17-4-1-5-18(12-17)23(26)27/h1-13,24-25H,(H,26,27)
InChIKeyGLYHXPGSXJQTTN-UHFFFAOYSA-N
XLogP5.28
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.38
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide
CID 25072940
3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 59443442
6-(3-hydroxyphenyl)-1-[4-(methylamino)phenyl]naphthalen-2-ol
CID 145481416
6-(3-hydroxyphenyl)-1-pyridin-3-ylnaphthalen-2-ol
CID 24970356
5-(3-carboxyphenyl)-2-hydroxybenzoic acid
CID 102139788
6-(3-hydroxyphenyl)-1-[4-(methylamino)phenyl]naphthalen-2-ol;4-oxobutanoic acid
CID 145481415
4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
CID 57384262
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-chloro-5-(3-hydroxyphenyl)benzoic acid
CID 53224975
3-(4-carboxyphenyl)benzoic acid
CID 11550488
5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide
CID 25073246
CID 66671873
CID 66671873

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid?
The IUPAC name of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid (CID 25069442) is 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid.
What is the SMILES notation for 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid?
The canonical SMILES for 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid is O=C(O)c1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1.
What is the InChIKey of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid?
The InChIKey is GLYHXPGSXJQTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O4/c24-19-6-2-3-14(13-19)15-7-9-20-16(11-15)8-10-21(25)22(20)17-4-1-5-18(12-17)23(26)27/h1-13,24-25H,(H,26,27).
What are the key properties of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid?
3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid has a molecular weight of 356.38 g/mol, XLogP of 5.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid is sourced from PubChem (CID 25069442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).