3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid

C17H12O4 — CID 101339177

IUPAC3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1c(O)cc2ccccc2c1Oc1ccccc1
InChIInChI=1S/C17H12O4/c18-14-10-11-6-4-5-9-13(11)16(15(14)17(19)20)21-12-7-2-1-3-8-12/h1-10,18H,(H,19,20)
InChIKeyKPVARXCMQRTEPO-UHFFFAOYSA-N
MW280.28 g/mol
LogP4.04
Rot. Bonds3

About 3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid

3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid (PubChem CID 101339177) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid
PubChem CID101339177
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1c(O)cc2ccccc2c1Oc1ccccc1
InChIInChI=1S/C17H12O4/c18-14-10-11-6-4-5-9-13(11)16(15(14)17(19)20)21-12-7-2-1-3-8-12/h1-10,18H,(H,19,20)
InChIKeyKPVARXCMQRTEPO-UHFFFAOYSA-N
XLogP4.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid?
The IUPAC name of 3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid (CID 101339177) is 3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid is O=C(O)c1c(O)cc2ccccc2c1Oc1ccccc1.
What is the InChIKey of 3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid?
The InChIKey is KPVARXCMQRTEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c18-14-10-11-6-4-5-9-13(11)16(15(14)17(19)20)21-12-7-2-1-3-8-12/h1-10,18H,(H,19,20).
What are the key properties of 3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid?
3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 101339177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).