phenyl 5-hydroxynaphthalene-1-carboxylate

C17H12O3 — CID 19766520

IUPACphenyl 5-hydroxynaphthalene-1-carboxylate
SMILESO=C(Oc1ccccc1)c1cccc2c(O)cccc12
InChIInChI=1S/C17H12O3/c18-16-11-5-8-13-14(16)9-4-10-15(13)17(19)20-12-6-2-1-3-7-12/h1-11,18H
InChIKeyGUWYYXPNUUACGW-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.76
Rot. Bonds2

About phenyl 5-hydroxynaphthalene-1-carboxylate

phenyl 5-hydroxynaphthalene-1-carboxylate (PubChem CID 19766520) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is phenyl 5-hydroxynaphthalene-1-carboxylate.

Molecular Properties

Compound Namephenyl 5-hydroxynaphthalene-1-carboxylate
PubChem CID19766520
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Namephenyl 5-hydroxynaphthalene-1-carboxylate
SMILESO=C(Oc1ccccc1)c1cccc2c(O)cccc12
InChIInChI=1S/C17H12O3/c18-16-11-5-8-13-14(16)9-4-10-15(13)17(19)20-12-6-2-1-3-7-12/h1-11,18H
InChIKeyGUWYYXPNUUACGW-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

phenyl 3-hydroxy-2-methoxybenzoate
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formaldehyde;phenyl 2-hydroxybenzoate
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2-phenoxy-3-phenoxycarbonylbenzoic acid
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phenyl 8-hydroxynaphthalene-1-carboxylate
CID 67908081
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
diphenyl benzene-1,2-dicarboxylate;phenol
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benzene-1,3-diol;diphenyl benzene-1,2-dicarboxylate
CID 174808310
phenyl 3-hydroxy-2-propan-2-ylbenzoate
CID 141297528
2-hydroxybenzoic acid;phenyl 2-hydroxybenzoate;phenylmercury
CID 174770539
phenyl 3-fluoro-2-hydroxybenzoate
CID 13004451
benzene-1,4-diol;tris(2-hydroxybenzoic acid);phenyl 2-hydroxybenzoate
CID 161221289
(4-phenylphenyl) 2-hydroxybenzoate
CID 19871808

Frequently Asked Questions

What is the IUPAC name of phenyl 5-hydroxynaphthalene-1-carboxylate?
The IUPAC name of phenyl 5-hydroxynaphthalene-1-carboxylate (CID 19766520) is phenyl 5-hydroxynaphthalene-1-carboxylate.
What is the SMILES notation for phenyl 5-hydroxynaphthalene-1-carboxylate?
The canonical SMILES for phenyl 5-hydroxynaphthalene-1-carboxylate is O=C(Oc1ccccc1)c1cccc2c(O)cccc12.
What is the InChIKey of phenyl 5-hydroxynaphthalene-1-carboxylate?
The InChIKey is GUWYYXPNUUACGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-16-11-5-8-13-14(16)9-4-10-15(13)17(19)20-12-6-2-1-3-7-12/h1-11,18H.
What are the key properties of phenyl 5-hydroxynaphthalene-1-carboxylate?
phenyl 5-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 5-hydroxynaphthalene-1-carboxylate is sourced from PubChem (CID 19766520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).