[4-(2-methylpropylsulfanyl)phenyl]methanol

C11H16OS — CID 63814318

IUPAC[4-(2-methylpropylsulfanyl)phenyl]methanol
SMILESCC(C)CSc1ccc(CO)cc1
InChIInChI=1S/C11H16OS/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-6,9,12H,7-8H2,1-2H3
InChIKeyKQPTYDQTCMCDPM-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.93
Rot. Bonds4

About [4-(2-methylpropylsulfanyl)phenyl]methanol

[4-(2-methylpropylsulfanyl)phenyl]methanol (PubChem CID 63814318) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol. Its IUPAC name is [4-(2-methylpropylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(2-methylpropylsulfanyl)phenyl]methanol
PubChem CID63814318
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name[4-(2-methylpropylsulfanyl)phenyl]methanol
SMILESCC(C)CSc1ccc(CO)cc1
InChIInChI=1S/C11H16OS/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-6,9,12H,7-8H2,1-2H3
InChIKeyKQPTYDQTCMCDPM-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropylsulfanyl)phenyl]methanol?
The IUPAC name of [4-(2-methylpropylsulfanyl)phenyl]methanol (CID 63814318) is [4-(2-methylpropylsulfanyl)phenyl]methanol.
What is the SMILES notation for [4-(2-methylpropylsulfanyl)phenyl]methanol?
The canonical SMILES for [4-(2-methylpropylsulfanyl)phenyl]methanol is CC(C)CSc1ccc(CO)cc1.
What is the InChIKey of [4-(2-methylpropylsulfanyl)phenyl]methanol?
The InChIKey is KQPTYDQTCMCDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of [4-(2-methylpropylsulfanyl)phenyl]methanol?
[4-(2-methylpropylsulfanyl)phenyl]methanol has a molecular weight of 196.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropylsulfanyl)phenyl]methanol is sourced from PubChem (CID 63814318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).