6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol

C14H18O2 — CID 79331034

IUPAC6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol
SMILESOC1(CCOc2ccccc2)C2CCCC21
InChIInChI=1S/C14H18O2/c15-14(12-7-4-8-13(12)14)9-10-16-11-5-2-1-3-6-11/h1-3,5-6,12-13,15H,4,7-10H2
InChIKeyQFZIYZLRFRLXFD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.62
Rot. Bonds4

About 6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol

6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol (PubChem CID 79331034) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol
PubChem CID79331034
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol
SMILESOC1(CCOc2ccccc2)C2CCCC21
InChIInChI=1S/C14H18O2/c15-14(12-7-4-8-13(12)14)9-10-16-11-5-2-1-3-6-11/h1-3,5-6,12-13,15H,4,7-10H2
InChIKeyQFZIYZLRFRLXFD-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol?
The IUPAC name of 6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol (CID 79331034) is 6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for 6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for 6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol is OC1(CCOc2ccccc2)C2CCCC21.
What is the InChIKey of 6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol?
The InChIKey is QFZIYZLRFRLXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-14(12-7-4-8-13(12)14)9-10-16-11-5-2-1-3-6-11/h1-3,5-6,12-13,15H,4,7-10H2.
What are the key properties of 6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol?
6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol has a molecular weight of 218.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 79331034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).