1-phenylmethoxy-2-prop-2-enylnaphthalene

C20H18O — CID 13119971

IUPAC1-phenylmethoxy-2-prop-2-enylnaphthalene
SMILESC=CCc1ccc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C20H18O/c1-2-8-18-14-13-17-11-6-7-12-19(17)20(18)21-15-16-9-4-3-5-10-16/h2-7,9-14H,1,8,15H2
InChIKeyCUWPMJFMTYHWHF-UHFFFAOYSA-N
MW274.36 g/mol
LogP5.15
Rot. Bonds5

About 1-phenylmethoxy-2-prop-2-enylnaphthalene

1-phenylmethoxy-2-prop-2-enylnaphthalene (PubChem CID 13119971) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-phenylmethoxy-2-prop-2-enylnaphthalene.

Molecular Properties

Compound Name1-phenylmethoxy-2-prop-2-enylnaphthalene
PubChem CID13119971
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name1-phenylmethoxy-2-prop-2-enylnaphthalene
SMILESC=CCc1ccc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C20H18O/c1-2-8-18-14-13-17-11-6-7-12-19(17)20(18)21-15-16-9-4-3-5-10-16/h2-7,9-14H,1,8,15H2
InChIKeyCUWPMJFMTYHWHF-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.36
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-phenylmethoxy-2-prop-2-enylnaphthalene 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-phenylmethoxy-2-prop-2-enylnaphthalene?
The IUPAC name of 1-phenylmethoxy-2-prop-2-enylnaphthalene (CID 13119971) is 1-phenylmethoxy-2-prop-2-enylnaphthalene.
What is the SMILES notation for 1-phenylmethoxy-2-prop-2-enylnaphthalene?
The canonical SMILES for 1-phenylmethoxy-2-prop-2-enylnaphthalene is C=CCc1ccc2ccccc2c1OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-2-prop-2-enylnaphthalene?
The InChIKey is CUWPMJFMTYHWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-2-8-18-14-13-17-11-6-7-12-19(17)20(18)21-15-16-9-4-3-5-10-16/h2-7,9-14H,1,8,15H2.
What are the key properties of 1-phenylmethoxy-2-prop-2-enylnaphthalene?
1-phenylmethoxy-2-prop-2-enylnaphthalene has a molecular weight of 274.36 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-2-prop-2-enylnaphthalene is sourced from PubChem (CID 13119971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).