3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol

C14H19ClO2S — CID 116732119

IUPAC3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol
SMILESCCOC(C(O)CSc1ccccc1Cl)C1CC1
InChIInChI=1S/C14H19ClO2S/c1-2-17-14(10-7-8-10)12(16)9-18-13-6-4-3-5-11(13)15/h3-6,10,12,14,16H,2,7-9H2,1H3
InChIKeyGHHLSMDYTJZFRI-UHFFFAOYSA-N
MW286.82 g/mol
LogP3.61
Rot. Bonds7

About 3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol

3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol (PubChem CID 116732119) has the molecular formula C14H19ClO2S and a molecular weight of 286.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol
PubChem CID116732119
Molecular FormulaC14H19ClO2S
Molecular Weight286.82 g/mol
Exact Mass286.08
IUPAC Name3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol
SMILESCCOC(C(O)CSc1ccccc1Cl)C1CC1
InChIInChI=1S/C14H19ClO2S/c1-2-17-14(10-7-8-10)12(16)9-18-13-6-4-3-5-11(13)15/h3-6,10,12,14,16H,2,7-9H2,1H3
InChIKeyGHHLSMDYTJZFRI-UHFFFAOYSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol (CID 116732119) is 3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol is CCOC(C(O)CSc1ccccc1Cl)C1CC1.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol?
The InChIKey is GHHLSMDYTJZFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2S/c1-2-17-14(10-7-8-10)12(16)9-18-13-6-4-3-5-11(13)15/h3-6,10,12,14,16H,2,7-9H2,1H3.
What are the key properties of 3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol?
3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol has a molecular weight of 286.82 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol is sourced from PubChem (CID 116732119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).