naphthalen-1-yl 2-hydroxybenzoate

C17H12O3 — CID 504536

IUPACnaphthalen-1-yl 2-hydroxybenzoate
SMILESO=C(Oc1cccc2ccccc12)c1ccccc1O
InChIInChI=1S/C17H12O3/c18-15-10-4-3-9-14(15)17(19)20-16-11-5-7-12-6-1-2-8-13(12)16/h1-11,18H
InChIKeyCVRCFLFEGNKMEC-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.76
Rot. Bonds2

About naphthalen-1-yl 2-hydroxybenzoate

naphthalen-1-yl 2-hydroxybenzoate (PubChem CID 504536) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is naphthalen-1-yl 2-hydroxybenzoate.

Molecular Properties

Compound Namenaphthalen-1-yl 2-hydroxybenzoate
PubChem CID504536
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Namenaphthalen-1-yl 2-hydroxybenzoate
SMILESO=C(Oc1cccc2ccccc12)c1ccccc1O
InChIInChI=1S/C17H12O3/c18-15-10-4-3-9-14(15)17(19)20-16-11-5-7-12-6-1-2-8-13(12)16/h1-11,18H
InChIKeyCVRCFLFEGNKMEC-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

dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
naphthalen-1-yl 2-propan-2-yloxybenzoate
CID 23013102
naphthalen-1-yl dibenzofuran-1-carboxylate
CID 134956412
2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008
dinaphthalen-1-yl 2-methylbenzene-1,4-dicarboxylate
CID 139985706
(2-phenylphenyl) naphthalene-1-carboxylate
CID 91722072
1-O-heptyl 2-O-naphthalen-1-yl benzene-1,2-dicarboxylate
CID 6423492
naphthalen-1-yl 2-ethoxypyridine-3-carboxylate
CID 7913806
naphthalen-1-yl 5-bromo-2-chlorobenzoate
CID 2370407
sodium 2-(2-hydroxybenzoyl)oxybenzoate
CID 23662396
[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
CID 11841339
3-O-(2-methylprop-2-enoyl) 1-O-naphthalen-1-yl 2-methylbenzene-1,3-dicarboxylate
CID 174507973

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 2-hydroxybenzoate?
The IUPAC name of naphthalen-1-yl 2-hydroxybenzoate (CID 504536) is naphthalen-1-yl 2-hydroxybenzoate.
What is the SMILES notation for naphthalen-1-yl 2-hydroxybenzoate?
The canonical SMILES for naphthalen-1-yl 2-hydroxybenzoate is O=C(Oc1cccc2ccccc12)c1ccccc1O.
What is the InChIKey of naphthalen-1-yl 2-hydroxybenzoate?
The InChIKey is CVRCFLFEGNKMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-15-10-4-3-9-14(15)17(19)20-16-11-5-7-12-6-1-2-8-13(12)16/h1-11,18H.
What are the key properties of naphthalen-1-yl 2-hydroxybenzoate?
naphthalen-1-yl 2-hydroxybenzoate 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 naphthalen-1-yl 2-hydroxybenzoate is sourced from PubChem (CID 504536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).