2-(naphthalene-1-carbonyloxy)benzoic acid

C18H12O4 — CID 54147008

IUPAC2-(naphthalene-1-carbonyloxy)benzoic acid
SMILESO=C(O)c1ccccc1OC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H12O4/c19-17(20)15-9-3-4-11-16(15)22-18(21)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,19,20)
InChIKeyOFBZGUHCKYHXTF-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.76
Rot. Bonds3

About 2-(naphthalene-1-carbonyloxy)benzoic acid

2-(naphthalene-1-carbonyloxy)benzoic acid (PubChem CID 54147008) has the molecular formula C18H12O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-(naphthalene-1-carbonyloxy)benzoic acid.

Molecular Properties

Compound Name2-(naphthalene-1-carbonyloxy)benzoic acid
PubChem CID54147008
Molecular FormulaC18H12O4
Molecular Weight292.29 g/mol
Exact Mass292.07
IUPAC Name2-(naphthalene-1-carbonyloxy)benzoic acid
SMILESO=C(O)c1ccccc1OC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H12O4/c19-17(20)15-9-3-4-11-16(15)22-18(21)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,19,20)
InChIKeyOFBZGUHCKYHXTF-UHFFFAOYSA-N
XLogP3.76
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
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

(2-phenylphenyl) naphthalene-1-carboxylate
CID 91722072
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate
CID 175286070
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
magnesium;hydride;naphthalene-1-carboperoxoic acid
CID 175368397
2-(2-hydroxy-3-methylbenzoyl)oxybenzoic acid
CID 56975164
(2,4,6-tribromophenyl) naphthalene-1-carboxylate
CID 4586991
[3-[9-[3-(naphthalene-1-carbonyloxy)-2-phenylphenyl]fluoren-9-yl]-2-phenylphenyl] naphthalene-1-carboxylate
CID 177344454
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
bromo naphthalene-1-carboxylate
CID 68796403

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalene-1-carbonyloxy)benzoic acid?
The IUPAC name of 2-(naphthalene-1-carbonyloxy)benzoic acid (CID 54147008) is 2-(naphthalene-1-carbonyloxy)benzoic acid.
What is the SMILES notation for 2-(naphthalene-1-carbonyloxy)benzoic acid?
The canonical SMILES for 2-(naphthalene-1-carbonyloxy)benzoic acid is O=C(O)c1ccccc1OC(=O)c1cccc2ccccc12.
What is the InChIKey of 2-(naphthalene-1-carbonyloxy)benzoic acid?
The InChIKey is OFBZGUHCKYHXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O4/c19-17(20)15-9-3-4-11-16(15)22-18(21)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,19,20).
What are the key properties of 2-(naphthalene-1-carbonyloxy)benzoic acid?
2-(naphthalene-1-carbonyloxy)benzoic acid has a molecular weight of 292.29 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalene-1-carbonyloxy)benzoic acid is sourced from PubChem (CID 54147008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).