cyclohexyl-(1-phenylsulfanylcyclopropyl)methanol

C16H22OS — CID 15937221

IUPACcyclohexyl-(1-phenylsulfanylcyclopropyl)methanol
SMILESOC(C1CCCCC1)C1(Sc2ccccc2)CC1
InChIInChI=1S/C16H22OS/c17-15(13-7-3-1-4-8-13)16(11-12-16)18-14-9-5-2-6-10-14/h2,5-6,9-10,13,15,17H,1,3-4,7-8,11-12H2
InChIKeyLUHWZZGVAYNZMN-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.25
Rot. Bonds4

About cyclohexyl-(1-phenylsulfanylcyclopropyl)methanol

cyclohexyl-(1-phenylsulfanylcyclopropyl)methanol (PubChem CID 15937221) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is cyclohexyl-(1-phenylsulfanylcyclopropyl)methanol.

Molecular Properties

Compound Namecyclohexyl-(1-phenylsulfanylcyclopropyl)methanol
PubChem CID15937221
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Namecyclohexyl-(1-phenylsulfanylcyclopropyl)methanol
SMILESOC(C1CCCCC1)C1(Sc2ccccc2)CC1
InChIInChI=1S/C16H22OS/c17-15(13-7-3-1-4-8-13)16(11-12-16)18-14-9-5-2-6-10-14/h2,5-6,9-10,13,15,17H,1,3-4,7-8,11-12H2
InChIKeyLUHWZZGVAYNZMN-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1-phenylsulfanylcyclopropyl)methanol?
The IUPAC name of cyclohexyl-(1-phenylsulfanylcyclopropyl)methanol (CID 15937221) is cyclohexyl-(1-phenylsulfanylcyclopropyl)methanol.
What is the SMILES notation for cyclohexyl-(1-phenylsulfanylcyclopropyl)methanol?
The canonical SMILES for cyclohexyl-(1-phenylsulfanylcyclopropyl)methanol is OC(C1CCCCC1)C1(Sc2ccccc2)CC1.
What is the InChIKey of cyclohexyl-(1-phenylsulfanylcyclopropyl)methanol?
The InChIKey is LUHWZZGVAYNZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS/c17-15(13-7-3-1-4-8-13)16(11-12-16)18-14-9-5-2-6-10-14/h2,5-6,9-10,13,15,17H,1,3-4,7-8,11-12H2.
What are the key properties of cyclohexyl-(1-phenylsulfanylcyclopropyl)methanol?
cyclohexyl-(1-phenylsulfanylcyclopropyl)methanol has a molecular weight of 262.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1-phenylsulfanylcyclopropyl)methanol is sourced from PubChem (CID 15937221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).