3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol

C17H18O — CID 115792754

IUPAC3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol
SMILESOC(c1ccc2ccccc2c1)C1CC2CC2C1
InChIInChI=1S/C17H18O/c18-17(16-9-14-8-15(14)10-16)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14-18H,8-10H2
InChIKeySRWGXNPJJPMPEC-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.92
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol

3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol (PubChem CID 115792754) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol
PubChem CID115792754
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol
SMILESOC(c1ccc2ccccc2c1)C1CC2CC2C1
InChIInChI=1S/C17H18O/c18-17(16-9-14-8-15(14)10-16)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14-18H,8-10H2
InChIKeySRWGXNPJJPMPEC-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl(naphthalen-2-yl)methanol
CID 62791150
cyclopentyl(naphthalen-2-yl)methanol
CID 62715022
naphthalen-2-ylmethanediol
CID 22496827
4-[amino(naphthalen-2-yl)methyl]cyclohexan-1-ol
CID 116941899
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanol
CID 64987016
amino(naphthalen-2-yl)methanol
CID 57110079
cyclohexyl(naphthalen-2-yl)methanamine
CID 62715199
(2,2-dimethylcyclohexyl)-naphthalen-2-ylmethanol
CID 107192209
naphthalen-2-yl(1,4-oxathian-2-yl)methanol
CID 79963790
3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol
CID 115797918
(3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine
CID 64738648
(R)-naphthalen-2-yl(oxan-4-yl)methanamine
CID 171246771

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol (CID 115792754) is 3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol is OC(c1ccc2ccccc2c1)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol?
The InChIKey is SRWGXNPJJPMPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c18-17(16-9-14-8-15(14)10-16)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14-18H,8-10H2.
What are the key properties of 3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol?
3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol has a molecular weight of 238.33 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl(naphthalen-2-yl)methanol is sourced from PubChem (CID 115792754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).