cycloheptyl-(1-phenylcyclobutyl)methanol

C18H26O — CID 82932083

IUPACcycloheptyl-(1-phenylcyclobutyl)methanol
SMILESOC(C1CCCCCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H26O/c19-17(15-9-4-1-2-5-10-15)18(13-8-14-18)16-11-6-3-7-12-16/h3,6-7,11-12,15,17,19H,1-2,4-5,8-10,13-14H2
InChIKeyJEGCNFAAMZACIQ-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.44
Rot. Bonds3

About cycloheptyl-(1-phenylcyclobutyl)methanol

cycloheptyl-(1-phenylcyclobutyl)methanol (PubChem CID 82932083) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is cycloheptyl-(1-phenylcyclobutyl)methanol.

Molecular Properties

Compound Namecycloheptyl-(1-phenylcyclobutyl)methanol
PubChem CID82932083
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Namecycloheptyl-(1-phenylcyclobutyl)methanol
SMILESOC(C1CCCCCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H26O/c19-17(15-9-4-1-2-5-10-15)18(13-8-14-18)16-11-6-3-7-12-16/h3,6-7,11-12,15,17,19H,1-2,4-5,8-10,13-14H2
InChIKeyJEGCNFAAMZACIQ-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(1-phenylcyclobutyl)methanol?
The IUPAC name of cycloheptyl-(1-phenylcyclobutyl)methanol (CID 82932083) is cycloheptyl-(1-phenylcyclobutyl)methanol.
What is the SMILES notation for cycloheptyl-(1-phenylcyclobutyl)methanol?
The canonical SMILES for cycloheptyl-(1-phenylcyclobutyl)methanol is OC(C1CCCCCC1)C1(c2ccccc2)CCC1.
What is the InChIKey of cycloheptyl-(1-phenylcyclobutyl)methanol?
The InChIKey is JEGCNFAAMZACIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c19-17(15-9-4-1-2-5-10-15)18(13-8-14-18)16-11-6-3-7-12-16/h3,6-7,11-12,15,17,19H,1-2,4-5,8-10,13-14H2.
What are the key properties of cycloheptyl-(1-phenylcyclobutyl)methanol?
cycloheptyl-(1-phenylcyclobutyl)methanol has a molecular weight of 258.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(1-phenylcyclobutyl)methanol is sourced from PubChem (CID 82932083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).