7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol

C15H20O2 — CID 79330747

IUPAC7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol
SMILESOC1(CCOc2ccccc2)C2CCCCC21
InChIInChI=1S/C15H20O2/c16-15(13-8-4-5-9-14(13)15)10-11-17-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2
InChIKeyNFYLHUDKCQGNAX-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.01
Rot. Bonds4

About 7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol

7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol (PubChem CID 79330747) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol
PubChem CID79330747
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol
SMILESOC1(CCOc2ccccc2)C2CCCCC21
InChIInChI=1S/C15H20O2/c16-15(13-8-4-5-9-14(13)15)10-11-17-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2
InChIKeyNFYLHUDKCQGNAX-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol
CID 79331034
3-(2-phenoxyethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961174
9,9-dioxo-3-(2-phenoxyethyl)-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171961182
8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961165
4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid
CID 65393665
1-[(2-phenoxyethylamino)methyl]cyclopentan-1-ol
CID 65111917
1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid
CID 66025511
4-methyl-1-(3-phenoxypropyl)cyclohexan-1-amine
CID 55157069
1-amino-2-(2-phenoxyethyl)cyclopentane-1-carboxamide
CID 79586633
1-cycloheptyl-3-phenoxypropan-1-one
CID 82932359
1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol (CID 79330747) is 7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol is OC1(CCOc2ccccc2)C2CCCCC21.
What is the InChIKey of 7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol?
The InChIKey is NFYLHUDKCQGNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-15(13-8-4-5-9-14(13)15)10-11-17-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2.
What are the key properties of 7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol?
7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol has a molecular weight of 232.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 79330747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).