(4-propan-2-ylsulfanylphenyl)methanol

C10H14OS — CID 54216650

IUPAC(4-propan-2-ylsulfanylphenyl)methanol
SMILESCC(C)Sc1ccc(CO)cc1
InChIInChI=1S/C10H14OS/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
InChIKeyPZQQNGZEYAUQAA-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.68
Rot. Bonds3

About (4-propan-2-ylsulfanylphenyl)methanol

(4-propan-2-ylsulfanylphenyl)methanol (PubChem CID 54216650) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is (4-propan-2-ylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(4-propan-2-ylsulfanylphenyl)methanol
PubChem CID54216650
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name(4-propan-2-ylsulfanylphenyl)methanol
SMILESCC(C)Sc1ccc(CO)cc1
InChIInChI=1S/C10H14OS/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
InChIKeyPZQQNGZEYAUQAA-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylsulfanylphenyl)methanol?
The IUPAC name of (4-propan-2-ylsulfanylphenyl)methanol (CID 54216650) is (4-propan-2-ylsulfanylphenyl)methanol.
What is the SMILES notation for (4-propan-2-ylsulfanylphenyl)methanol?
The canonical SMILES for (4-propan-2-ylsulfanylphenyl)methanol is CC(C)Sc1ccc(CO)cc1.
What is the InChIKey of (4-propan-2-ylsulfanylphenyl)methanol?
The InChIKey is PZQQNGZEYAUQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3.
What are the key properties of (4-propan-2-ylsulfanylphenyl)methanol?
(4-propan-2-ylsulfanylphenyl)methanol has a molecular weight of 182.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylsulfanylphenyl)methanol is sourced from PubChem (CID 54216650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).