(1-methoxy-1-phenylprop-2-ynyl)benzene

C16H14O — CID 12058494

IUPAC(1-methoxy-1-phenylprop-2-ynyl)benzene
SMILESC#CC(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O/c1-3-16(17-2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h1,4-13H,2H3
InChIKeyLOBSJUUOCCEBHE-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.21
Rot. Bonds3

About (1-methoxy-1-phenylprop-2-ynyl)benzene

(1-methoxy-1-phenylprop-2-ynyl)benzene (PubChem CID 12058494) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is (1-methoxy-1-phenylprop-2-ynyl)benzene.

Molecular Properties

Compound Name(1-methoxy-1-phenylprop-2-ynyl)benzene
PubChem CID12058494
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name(1-methoxy-1-phenylprop-2-ynyl)benzene
SMILESC#CC(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O/c1-3-16(17-2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h1,4-13H,2H3
InChIKeyLOBSJUUOCCEBHE-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1-methoxy-1-phenylprop-2-ynyl)benzene 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-methoxy-1-phenylprop-2-ynyl)benzene?
The IUPAC name of (1-methoxy-1-phenylprop-2-ynyl)benzene (CID 12058494) is (1-methoxy-1-phenylprop-2-ynyl)benzene.
What is the SMILES notation for (1-methoxy-1-phenylprop-2-ynyl)benzene?
The canonical SMILES for (1-methoxy-1-phenylprop-2-ynyl)benzene is C#CC(OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-methoxy-1-phenylprop-2-ynyl)benzene?
The InChIKey is LOBSJUUOCCEBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-3-16(17-2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h1,4-13H,2H3.
What are the key properties of (1-methoxy-1-phenylprop-2-ynyl)benzene?
(1-methoxy-1-phenylprop-2-ynyl)benzene has a molecular weight of 222.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1-phenylprop-2-ynyl)benzene is sourced from PubChem (CID 12058494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).