6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol

C15H20O — CID 79330732

IUPAC6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol
SMILESCCC(c1ccccc1)C1(O)C2CCCC21
InChIInChI=1S/C15H20O/c1-2-12(11-7-4-3-5-8-11)15(16)13-9-6-10-14(13)15/h3-5,7-8,12-14,16H,2,6,9-10H2,1H3
InChIKeySKUMCZBFQRDSNE-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.34
Rot. Bonds3

About 6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol

6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol (PubChem CID 79330732) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol
PubChem CID79330732
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol
SMILESCCC(c1ccccc1)C1(O)C2CCCC21
InChIInChI=1S/C15H20O/c1-2-12(11-7-4-3-5-8-11)15(16)13-9-6-10-14(13)15/h3-5,7-8,12-14,16H,2,6,9-10H2,1H3
InChIKeySKUMCZBFQRDSNE-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol?
The IUPAC name of 6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol (CID 79330732) is 6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for 6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for 6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol is CCC(c1ccccc1)C1(O)C2CCCC21.
What is the InChIKey of 6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol?
The InChIKey is SKUMCZBFQRDSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-2-12(11-7-4-3-5-8-11)15(16)13-9-6-10-14(13)15/h3-5,7-8,12-14,16H,2,6,9-10H2,1H3.
What are the key properties of 6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol?
6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol has a molecular weight of 216.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylpropyl)bicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 79330732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).