2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol

C13H16O — CID 130126841

IUPAC2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol
SMILESCC1(C)C(CCO)=C1c1ccccc1
InChIInChI=1S/C13H16O/c1-13(2)11(8-9-14)12(13)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3
InChIKeyCBUANKGXNSCQAI-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.86
Rot. Bonds3

About 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol

2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol (PubChem CID 130126841) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol
PubChem CID130126841
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol
SMILESCC1(C)C(CCO)=C1c1ccccc1
InChIInChI=1S/C13H16O/c1-13(2)11(8-9-14)12(13)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3
InChIKeyCBUANKGXNSCQAI-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol 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 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol?
The IUPAC name of 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol (CID 130126841) is 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol.
What is the SMILES notation for 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol?
The canonical SMILES for 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol is CC1(C)C(CCO)=C1c1ccccc1.
What is the InChIKey of 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol?
The InChIKey is CBUANKGXNSCQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-13(2)11(8-9-14)12(13)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3.
What are the key properties of 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol?
2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol has a molecular weight of 188.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol is sourced from PubChem (CID 130126841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).