2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol

C14H18O — CID 15579859

IUPAC2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol
SMILESCC(C)(O)C12CC(c3ccccc3)(C1)C2
InChIInChI=1S/C14H18O/c1-12(2,15)14-8-13(9-14,10-14)11-6-4-3-5-7-11/h3-7,15H,8-10H2,1-2H3
InChIKeyJDCZDIFRWMRSCY-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.88
Rot. Bonds2

About 2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol

2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol (PubChem CID 15579859) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol
PubChem CID15579859
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol
SMILESCC(C)(O)C12CC(c3ccccc3)(C1)C2
InChIInChI=1S/C14H18O/c1-12(2,15)14-8-13(9-14,10-14)11-6-4-3-5-7-11/h3-7,15H,8-10H2,1-2H3
InChIKeyJDCZDIFRWMRSCY-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol?
The IUPAC name of 2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol (CID 15579859) is 2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol.
What is the SMILES notation for 2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol?
The canonical SMILES for 2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol is CC(C)(O)C12CC(c3ccccc3)(C1)C2.
What is the InChIKey of 2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol?
The InChIKey is JDCZDIFRWMRSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-12(2,15)14-8-13(9-14,10-14)11-6-4-3-5-7-11/h3-7,15H,8-10H2,1-2H3.
What are the key properties of 2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol?
2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol has a molecular weight of 202.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol is sourced from PubChem (CID 15579859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).