(5-hydroxynaphthalen-1-yl) benzoate

C17H12O3 — CID 646429

IUPAC(5-hydroxynaphthalen-1-yl) benzoate
SMILESO=C(Oc1cccc2c(O)cccc12)c1ccccc1
InChIInChI=1S/C17H12O3/c18-15-10-4-9-14-13(15)8-5-11-16(14)20-17(19)12-6-2-1-3-7-12/h1-11,18H
InChIKeyTWYZJDASIMIAPK-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.76
Rot. Bonds2

About (5-hydroxynaphthalen-1-yl) benzoate

(5-hydroxynaphthalen-1-yl) benzoate (PubChem CID 646429) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is (5-hydroxynaphthalen-1-yl) benzoate.

Molecular Properties

Compound Name(5-hydroxynaphthalen-1-yl) benzoate
PubChem CID646429
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name(5-hydroxynaphthalen-1-yl) benzoate
SMILESO=C(Oc1cccc2c(O)cccc12)c1ccccc1
InChIInChI=1S/C17H12O3/c18-15-10-4-9-14-13(15)8-5-11-16(14)20-17(19)12-6-2-1-3-7-12/h1-11,18H
InChIKeyTWYZJDASIMIAPK-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

(5-hydroxynaphthalen-1-yl) 4-chlorobenzoate
CID 7313966
[2-(2-hydroxyphenyl)phenyl] benzoate
CID 14400054
(5-hydroxynaphthalen-1-yl) furan-2-carboxylate
CID 7314053
(4-methylsulfanylnaphthalen-1-yl) benzoate
CID 91703997
(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate
CID 175286070
methyl 2-benzoyloxy-3-hydroxybenzoate
CID 68781973
(8-formyl-5-methoxynaphthalen-1-yl) benzoate
CID 12653578
(2-hydroxyphenyl) 4-fluorobenzoate
CID 91711747
(2-benzoyloxy-3-butanoylphenyl) benzoate
CID 141250057
(5-amino-2-hydroxyphenyl) benzoate
CID 12648522
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
(4-hydroxynaphthalen-1-yl) 2-bromobenzoate
CID 44603623

Frequently Asked Questions

What is the IUPAC name of (5-hydroxynaphthalen-1-yl) benzoate?
The IUPAC name of (5-hydroxynaphthalen-1-yl) benzoate (CID 646429) is (5-hydroxynaphthalen-1-yl) benzoate.
What is the SMILES notation for (5-hydroxynaphthalen-1-yl) benzoate?
The canonical SMILES for (5-hydroxynaphthalen-1-yl) benzoate is O=C(Oc1cccc2c(O)cccc12)c1ccccc1.
What is the InChIKey of (5-hydroxynaphthalen-1-yl) benzoate?
The InChIKey is TWYZJDASIMIAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-15-10-4-9-14-13(15)8-5-11-16(14)20-17(19)12-6-2-1-3-7-12/h1-11,18H.
What are the key properties of (5-hydroxynaphthalen-1-yl) benzoate?
(5-hydroxynaphthalen-1-yl) benzoate 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 (5-hydroxynaphthalen-1-yl) benzoate is sourced from PubChem (CID 646429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).