[4-(cyclohexylsulfinylmethyl)phenyl]methanol

C14H20O2S — CID 110004991

IUPAC[4-(cyclohexylsulfinylmethyl)phenyl]methanol
SMILESO=S(Cc1ccc(CO)cc1)C1CCCCC1
InChIInChI=1S/C14H20O2S/c15-10-12-6-8-13(9-7-12)11-17(16)14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-11H2
InChIKeyNVIRZRWZRHZFAV-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.76
Rot. Bonds4

About [4-(cyclohexylsulfinylmethyl)phenyl]methanol

[4-(cyclohexylsulfinylmethyl)phenyl]methanol (PubChem CID 110004991) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is [4-(cyclohexylsulfinylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(cyclohexylsulfinylmethyl)phenyl]methanol
PubChem CID110004991
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name[4-(cyclohexylsulfinylmethyl)phenyl]methanol
SMILESO=S(Cc1ccc(CO)cc1)C1CCCCC1
InChIInChI=1S/C14H20O2S/c15-10-12-6-8-13(9-7-12)11-17(16)14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-11H2
InChIKeyNVIRZRWZRHZFAV-UHFFFAOYSA-N
XLogP2.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylsulfinylmethyl)phenyl]methanol?
The IUPAC name of [4-(cyclohexylsulfinylmethyl)phenyl]methanol (CID 110004991) is [4-(cyclohexylsulfinylmethyl)phenyl]methanol.
What is the SMILES notation for [4-(cyclohexylsulfinylmethyl)phenyl]methanol?
The canonical SMILES for [4-(cyclohexylsulfinylmethyl)phenyl]methanol is O=S(Cc1ccc(CO)cc1)C1CCCCC1.
What is the InChIKey of [4-(cyclohexylsulfinylmethyl)phenyl]methanol?
The InChIKey is NVIRZRWZRHZFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c15-10-12-6-8-13(9-7-12)11-17(16)14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-11H2.
What are the key properties of [4-(cyclohexylsulfinylmethyl)phenyl]methanol?
[4-(cyclohexylsulfinylmethyl)phenyl]methanol has a molecular weight of 252.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylsulfinylmethyl)phenyl]methanol is sourced from PubChem (CID 110004991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).