(3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol

C13H20OS — CID 176584231

IUPAC(3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol
SMILESCC(C)Sc1cc(CO)cc(C(C)C)c1
InChIInChI=1S/C13H20OS/c1-9(2)12-5-11(8-14)6-13(7-12)15-10(3)4/h5-7,9-10,14H,8H2,1-4H3
InChIKeyPTPYKIDGPBMCCJ-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.80
Rot. Bonds4

About (3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol

(3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol (PubChem CID 176584231) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is (3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol
PubChem CID176584231
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name(3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol
SMILESCC(C)Sc1cc(CO)cc(C(C)C)c1
InChIInChI=1S/C13H20OS/c1-9(2)12-5-11(8-14)6-13(7-12)15-10(3)4/h5-7,9-10,14H,8H2,1-4H3
InChIKeyPTPYKIDGPBMCCJ-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol?
The IUPAC name of (3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol (CID 176584231) is (3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol.
What is the SMILES notation for (3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol?
The canonical SMILES for (3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol is CC(C)Sc1cc(CO)cc(C(C)C)c1.
What is the InChIKey of (3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol?
The InChIKey is PTPYKIDGPBMCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-9(2)12-5-11(8-14)6-13(7-12)15-10(3)4/h5-7,9-10,14H,8H2,1-4H3.
What are the key properties of (3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol?
(3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol has a molecular weight of 224.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-5-propan-2-ylsulfanylphenyl)methanol is sourced from PubChem (CID 176584231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).