phenyl naphthalene-1-carboxylate

C17H12O2 — CID 3249510

IUPACphenyl naphthalene-1-carboxylate
SMILESO=C(Oc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H12O2/c18-17(19-14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H
InChIKeyIGJYWORNVRWOKZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP4.06
Rot. Bonds2

About phenyl naphthalene-1-carboxylate

phenyl naphthalene-1-carboxylate (PubChem CID 3249510) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is phenyl naphthalene-1-carboxylate.

Molecular Properties

Compound Namephenyl naphthalene-1-carboxylate
PubChem CID3249510
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Namephenyl naphthalene-1-carboxylate
SMILESO=C(Oc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C17H12O2/c18-17(19-14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H
InChIKeyIGJYWORNVRWOKZ-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenyl naphthalene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl naphthalene-1-carboxylate?
The IUPAC name of phenyl naphthalene-1-carboxylate (CID 3249510) is phenyl naphthalene-1-carboxylate.
What is the SMILES notation for phenyl naphthalene-1-carboxylate?
The canonical SMILES for phenyl naphthalene-1-carboxylate is O=C(Oc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of phenyl naphthalene-1-carboxylate?
The InChIKey is IGJYWORNVRWOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O2/c18-17(19-14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H.
What are the key properties of phenyl naphthalene-1-carboxylate?
phenyl naphthalene-1-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl naphthalene-1-carboxylate is sourced from PubChem (CID 3249510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).