phenyl 8-hydroxynaphthalene-1-carboxylate

C17H12O3 — CID 67908081

IUPACphenyl 8-hydroxynaphthalene-1-carboxylate
SMILESO=C(Oc1ccccc1)c1cccc2cccc(O)c12
InChIInChI=1S/C17H12O3/c18-15-11-5-7-12-6-4-10-14(16(12)15)17(19)20-13-8-2-1-3-9-13/h1-11,18H
InChIKeyNXXSJSSZUGKJNI-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.76
Rot. Bonds2

About phenyl 8-hydroxynaphthalene-1-carboxylate

phenyl 8-hydroxynaphthalene-1-carboxylate (PubChem CID 67908081) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is phenyl 8-hydroxynaphthalene-1-carboxylate.

Molecular Properties

Compound Namephenyl 8-hydroxynaphthalene-1-carboxylate
PubChem CID67908081
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Namephenyl 8-hydroxynaphthalene-1-carboxylate
SMILESO=C(Oc1ccccc1)c1cccc2cccc(O)c12
InChIInChI=1S/C17H12O3/c18-15-11-5-7-12-6-4-10-14(16(12)15)17(19)20-13-8-2-1-3-9-13/h1-11,18H
InChIKeyNXXSJSSZUGKJNI-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

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CID 70193884
phenyl 5-hydroxynaphthalene-1-carboxylate
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diphenyl benzene-1,2-dicarboxylate;phenol
CID 174922398
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CID 174808310
phenyl 3-hydroxy-2-methoxybenzoate
CID 69024035
phenyl 3-hydroxy-2-propan-2-ylbenzoate
CID 141297528
phenyl 3-fluoro-2-hydroxybenzoate
CID 13004451
benzene-1,4-diol;tris(2-hydroxybenzoic acid);phenyl 2-hydroxybenzoate
CID 161221289
phenyl quinoline-8-carboxylate
CID 2227226
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CID 19871808

Frequently Asked Questions

What is the IUPAC name of phenyl 8-hydroxynaphthalene-1-carboxylate?
The IUPAC name of phenyl 8-hydroxynaphthalene-1-carboxylate (CID 67908081) is phenyl 8-hydroxynaphthalene-1-carboxylate.
What is the SMILES notation for phenyl 8-hydroxynaphthalene-1-carboxylate?
The canonical SMILES for phenyl 8-hydroxynaphthalene-1-carboxylate is O=C(Oc1ccccc1)c1cccc2cccc(O)c12.
What is the InChIKey of phenyl 8-hydroxynaphthalene-1-carboxylate?
The InChIKey is NXXSJSSZUGKJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-15-11-5-7-12-6-4-10-14(16(12)15)17(19)20-13-8-2-1-3-9-13/h1-11,18H.
What are the key properties of phenyl 8-hydroxynaphthalene-1-carboxylate?
phenyl 8-hydroxynaphthalene-1-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 8-hydroxynaphthalene-1-carboxylate is sourced from PubChem (CID 67908081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).