(1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate

C19H18O2 — CID 11311980

IUPAC(1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate
SMILESC=CC1(OC(=O)c2ccccc2)CCCc2ccccc21
InChIInChI=1S/C19H18O2/c1-2-19(21-18(20)16-10-4-3-5-11-16)14-8-12-15-9-6-7-13-17(15)19/h2-7,9-11,13H,1,8,12,14H2
InChIKeyDNRCPVFNAXFVOH-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.26
Rot. Bonds3

About (1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate

(1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate (PubChem CID 11311980) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate.

Molecular Properties

Compound Name(1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate
PubChem CID11311980
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate
SMILESC=CC1(OC(=O)c2ccccc2)CCCc2ccccc21
InChIInChI=1S/C19H18O2/c1-2-19(21-18(20)16-10-4-3-5-11-16)14-8-12-15-9-6-7-13-17(15)19/h2-7,9-11,13H,1,8,12,14H2
InChIKeyDNRCPVFNAXFVOH-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate 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 (1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate?
The IUPAC name of (1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate (CID 11311980) is (1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate.
What is the SMILES notation for (1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate?
The canonical SMILES for (1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate is C=CC1(OC(=O)c2ccccc2)CCCc2ccccc21.
What is the InChIKey of (1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate?
The InChIKey is DNRCPVFNAXFVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-2-19(21-18(20)16-10-4-3-5-11-16)14-8-12-15-9-6-7-13-17(15)19/h2-7,9-11,13H,1,8,12,14H2.
What are the key properties of (1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate?
(1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate has a molecular weight of 278.35 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenyl-3,4-dihydro-2H-naphthalen-1-yl) benzoate is sourced from PubChem (CID 11311980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).