6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol

C17H18O — CID 79330727

IUPAC6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol
SMILESOC1(Cc2ccc3ccccc3c2)C2CCCC21
InChIInChI=1S/C17H18O/c18-17(15-6-3-7-16(15)17)11-12-8-9-13-4-1-2-5-14(13)10-12/h1-2,4-5,8-10,15-16,18H,3,6-7,11H2
InChIKeyIWKVHKGBVVJKOG-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.54
Rot. Bonds2

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

6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol (PubChem CID 79330727) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol
PubChem CID79330727
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol
SMILESOC1(Cc2ccc3ccccc3c2)C2CCCC21
InChIInChI=1S/C17H18O/c18-17(15-6-3-7-16(15)17)11-12-8-9-13-4-1-2-5-14(13)10-12/h1-2,4-5,8-10,15-16,18H,3,6-7,11H2
InChIKeyIWKVHKGBVVJKOG-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol?
The IUPAC name of 6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol (CID 79330727) is 6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for 6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for 6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol is OC1(Cc2ccc3ccccc3c2)C2CCCC21.
What is the InChIKey of 6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol?
The InChIKey is IWKVHKGBVVJKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c18-17(15-6-3-7-16(15)17)11-12-8-9-13-4-1-2-5-14(13)10-12/h1-2,4-5,8-10,15-16,18H,3,6-7,11H2.
What are the key properties of 6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol?
6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol has a molecular weight of 238.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(naphthalen-2-ylmethyl)bicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 79330727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).