[1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol

C13H18O2S — CID 117034826

IUPAC[1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol
SMILESCC(C)Oc1ccc(SC2(CO)CC2)cc1
InChIInChI=1S/C13H18O2S/c1-10(2)15-11-3-5-12(6-4-11)16-13(9-14)7-8-13/h3-6,10,14H,7-9H2,1-2H3
InChIKeyVPQXIVUZOGVTDT-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.09
Rot. Bonds5

About [1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol

[1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol (PubChem CID 117034826) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is [1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol
PubChem CID117034826
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name[1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol
SMILESCC(C)Oc1ccc(SC2(CO)CC2)cc1
InChIInChI=1S/C13H18O2S/c1-10(2)15-11-3-5-12(6-4-11)16-13(9-14)7-8-13/h3-6,10,14H,7-9H2,1-2H3
InChIKeyVPQXIVUZOGVTDT-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-yloxyphenyl)sulfanylcyclopropane-1-carbonitrile
CID 117034789
2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol
CID 116852304
S-(4-propan-2-yloxyphenyl)thiohydroxylamine
CID 117033766
[1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol
CID 116912161
4-(4-propan-2-yloxyphenyl)sulfanylphenol
CID 134238936
2-(4-propan-2-yloxyphenyl)sulfanylethanethiol
CID 117033741
1-(1-methylcyclopropyl)-4-(4-propan-2-yloxyphenyl)sulfanylpiperazine
CID 143303513
2-(4-propan-2-yloxyphenyl)sulfanylacetonitrile
CID 116853805
1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene
CID 137385958
ethane;4-propan-2-yloxyphenol
CID 142348653
3-(4-propan-2-yloxyphenyl)sulfanylazetidine
CID 117032992
2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine
CID 117032627

Frequently Asked Questions

What is the IUPAC name of [1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol?
The IUPAC name of [1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol (CID 117034826) is [1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol.
What is the SMILES notation for [1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol?
The canonical SMILES for [1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol is CC(C)Oc1ccc(SC2(CO)CC2)cc1.
What is the InChIKey of [1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol?
The InChIKey is VPQXIVUZOGVTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-10(2)15-11-3-5-12(6-4-11)16-13(9-14)7-8-13/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of [1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol?
[1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol has a molecular weight of 238.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol is sourced from PubChem (CID 117034826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).