3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid

C21H14O3 — CID 178068775

IUPAC3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(-c2cccc3ccccc23)c1O
InChIInChI=1S/C21H14O3/c22-20-18(21(23)24)12-14-7-2-4-10-16(14)19(20)17-11-5-8-13-6-1-3-9-15(13)17/h1-12,22H,(H,23,24)
InChIKeyPYAIPYBGJWJKCV-UHFFFAOYSA-N
MW314.34 g/mol
LogP5.06
Rot. Bonds2

About 3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid

3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid (PubChem CID 178068775) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid
PubChem CID178068775
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Name3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(-c2cccc3ccccc23)c1O
InChIInChI=1S/C21H14O3/c22-20-18(21(23)24)12-14-7-2-4-10-16(14)19(20)17-11-5-8-13-6-1-3-9-15(13)17/h1-12,22H,(H,23,24)
InChIKeyPYAIPYBGJWJKCV-UHFFFAOYSA-N
XLogP5.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.34
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
CID 160574931
1-(3-hydroxy-4-naphthalen-1-ylnaphthalen-2-yl)hexan-1-one
CID 139885546
1-naphthalen-1-yl-3-phenylnaphthalen-2-ol
CID 11982733
3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 11810055
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;oxalic acid
CID 69083270
1-[3-hydroxy-7-phenyl-4-(6-phenylnaphthalen-1-yl)naphthalen-2-yl]-3-methylbutan-1-one
CID 139885542
2-hydroxy-3-phenanthren-3-ylbenzoic acid
CID 174782186
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;propan-2-one
CID 69422292
4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
CID 22237045
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid (CID 178068775) is 3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2c(-c2cccc3ccccc23)c1O.
What is the InChIKey of 3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid?
The InChIKey is PYAIPYBGJWJKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c22-20-18(21(23)24)12-14-7-2-4-10-16(14)19(20)17-11-5-8-13-6-1-3-9-15(13)17/h1-12,22H,(H,23,24).
What are the key properties of 3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid?
3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 5.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-naphthalen-1-ylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 178068775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).