(4-tert-butylsulfanylphenyl)methanol

C11H16OS — CID 11830367

IUPAC(4-tert-butylsulfanylphenyl)methanol
SMILESCC(C)(C)Sc1ccc(CO)cc1
InChIInChI=1S/C11H16OS/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
InChIKeyFWIQXERLOIUQBV-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.07
Rot. Bonds2

About (4-tert-butylsulfanylphenyl)methanol

(4-tert-butylsulfanylphenyl)methanol (PubChem CID 11830367) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is (4-tert-butylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(4-tert-butylsulfanylphenyl)methanol
PubChem CID11830367
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name(4-tert-butylsulfanylphenyl)methanol
SMILESCC(C)(C)Sc1ccc(CO)cc1
InChIInChI=1S/C11H16OS/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
InChIKeyFWIQXERLOIUQBV-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylsulfanylphenyl)methanol?
The IUPAC name of (4-tert-butylsulfanylphenyl)methanol (CID 11830367) is (4-tert-butylsulfanylphenyl)methanol.
What is the SMILES notation for (4-tert-butylsulfanylphenyl)methanol?
The canonical SMILES for (4-tert-butylsulfanylphenyl)methanol is CC(C)(C)Sc1ccc(CO)cc1.
What is the InChIKey of (4-tert-butylsulfanylphenyl)methanol?
The InChIKey is FWIQXERLOIUQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3.
What are the key properties of (4-tert-butylsulfanylphenyl)methanol?
(4-tert-butylsulfanylphenyl)methanol has a molecular weight of 196.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylsulfanylphenyl)methanol is sourced from PubChem (CID 11830367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).