1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol

C16H22OS — CID 12517363

IUPAC1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol
SMILESCC(C)=C(Sc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C16H22OS/c1-13(2)15(16(17)11-7-4-8-12-16)18-14-9-5-3-6-10-14/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3
InChIKeyDDYMEARLRADFBP-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.77
Rot. Bonds3

About 1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol

1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol (PubChem CID 12517363) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol
PubChem CID12517363
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol
SMILESCC(C)=C(Sc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C16H22OS/c1-13(2)15(16(17)11-7-4-8-12-16)18-14-9-5-3-6-10-14/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3
InChIKeyDDYMEARLRADFBP-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol (CID 12517363) is 1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol is CC(C)=C(Sc1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol?
The InChIKey is DDYMEARLRADFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS/c1-13(2)15(16(17)11-7-4-8-12-16)18-14-9-5-3-6-10-14/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3.
What are the key properties of 1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol?
1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol has a molecular weight of 262.42 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-phenylsulfanylprop-1-enyl)cyclohexan-1-ol is sourced from PubChem (CID 12517363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).