2-(4-propan-2-ylsulfanylphenyl)propan-2-ol

C12H18OS — CID 84677942

IUPAC2-(4-propan-2-ylsulfanylphenyl)propan-2-ol
SMILESCC(C)Sc1ccc(C(C)(C)O)cc1
InChIInChI=1S/C12H18OS/c1-9(2)14-11-7-5-10(6-8-11)12(3,4)13/h5-9,13H,1-4H3
InChIKeyGVCWUCODNAMNQU-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.41
Rot. Bonds3

About 2-(4-propan-2-ylsulfanylphenyl)propan-2-ol

2-(4-propan-2-ylsulfanylphenyl)propan-2-ol (PubChem CID 84677942) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfanylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfanylphenyl)propan-2-ol
PubChem CID84677942
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name2-(4-propan-2-ylsulfanylphenyl)propan-2-ol
SMILESCC(C)Sc1ccc(C(C)(C)O)cc1
InChIInChI=1S/C12H18OS/c1-9(2)14-11-7-5-10(6-8-11)12(3,4)13/h5-9,13H,1-4H3
InChIKeyGVCWUCODNAMNQU-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-ylsulfanylaniline;2,3,3-trimethylbutan-2-ol
CID 176999975
N',2-dimethyl-2-(4-propan-2-ylsulfanylphenyl)propanehydrazide
CID 116847204
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine
CID 116839309
[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamic acid
CID 115171438
(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
CID 78951591
N-[2-methyl-2-(4-propan-2-ylsulfanylphenyl)propyl]carbamoyl bromide
CID 115194275
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol;2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 67743225
2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115178682
1-[cyclopropyl(difluoro)methyl]-4-propan-2-ylsulfanylbenzene
CID 116841718
bis(4-propan-2-ylsulfanylphenyl)methanone
CID 134098559
N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 115261466

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)propan-2-ol?
The IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)propan-2-ol (CID 84677942) is 2-(4-propan-2-ylsulfanylphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-propan-2-ylsulfanylphenyl)propan-2-ol?
The canonical SMILES for 2-(4-propan-2-ylsulfanylphenyl)propan-2-ol is CC(C)Sc1ccc(C(C)(C)O)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfanylphenyl)propan-2-ol?
The InChIKey is GVCWUCODNAMNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-9(2)14-11-7-5-10(6-8-11)12(3,4)13/h5-9,13H,1-4H3.
What are the key properties of 2-(4-propan-2-ylsulfanylphenyl)propan-2-ol?
2-(4-propan-2-ylsulfanylphenyl)propan-2-ol has a molecular weight of 210.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfanylphenyl)propan-2-ol is sourced from PubChem (CID 84677942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).