2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol

C13H20O2S — CID 116852304

IUPAC2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol
SMILESCC(C)Oc1ccc(SC(C)(C)CO)cc1
InChIInChI=1S/C13H20O2S/c1-10(2)15-11-5-7-12(8-6-11)16-13(3,4)9-14/h5-8,10,14H,9H2,1-4H3
InChIKeySQURKOYRDZTUPZ-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.34
Rot. Bonds5

About 2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol

2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol (PubChem CID 116852304) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol
PubChem CID116852304
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol
SMILESCC(C)Oc1ccc(SC(C)(C)CO)cc1
InChIInChI=1S/C13H20O2S/c1-10(2)15-11-5-7-12(8-6-11)16-13(3,4)9-14/h5-8,10,14H,9H2,1-4H3
InChIKeySQURKOYRDZTUPZ-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 116852254
2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine
CID 117032627
S-(4-propan-2-yloxyphenyl)thiohydroxylamine
CID 117033766
4-(4-propan-2-yloxyphenyl)sulfanylphenol
CID 134238936
[1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol
CID 117034826
2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol
CID 115133454
2-(4-propan-2-yloxyphenyl)sulfanylethanethiol
CID 117033741
N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide
CID 39389642
2-(4-propan-2-yloxyphenyl)sulfanylacetonitrile
CID 116853805
1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene
CID 137385958
2-anilino-2-(4-propan-2-yloxyphenyl)propan-1-ol
CID 61046598
2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852264

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol?
The IUPAC name of 2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol (CID 116852304) is 2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol is CC(C)Oc1ccc(SC(C)(C)CO)cc1.
What is the InChIKey of 2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol?
The InChIKey is SQURKOYRDZTUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-10(2)15-11-5-7-12(8-6-11)16-13(3,4)9-14/h5-8,10,14H,9H2,1-4H3.
What are the key properties of 2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol?
2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol is sourced from PubChem (CID 116852304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).