1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol

C14H22O3S — CID 64665099

IUPAC1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CSc1cccc(C(C)O)c1
InChIInChI=1S/C14H22O3S/c1-10(2)17-8-13(16)9-18-14-6-4-5-12(7-14)11(3)15/h4-7,10-11,13,15-16H,8-9H2,1-3H3
InChIKeyXWPFURFMWRSQHK-UHFFFAOYSA-N
MW270.39 g/mol
LogP2.62
Rot. Bonds7

About 1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol

1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol (PubChem CID 64665099) has the molecular formula C14H22O3S and a molecular weight of 270.39 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol
PubChem CID64665099
Molecular FormulaC14H22O3S
Molecular Weight270.39 g/mol
Exact Mass270.13
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CSc1cccc(C(C)O)c1
InChIInChI=1S/C14H22O3S/c1-10(2)17-8-13(16)9-18-14-6-4-5-12(7-14)11(3)15/h4-7,10-11,13,15-16H,8-9H2,1-3H3
InChIKeyXWPFURFMWRSQHK-UHFFFAOYSA-N
XLogP2.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 63987420
1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 79566382
1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670968
3-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]sulfanylbenzonitrile
CID 97244805
1-(1-methoxypropan-2-yloxy)-3-[3-[1-(methylamino)ethyl]phenyl]sulfanylpropan-2-ol
CID 106993054
1-[3-(1-aminoethyl)phenyl]sulfanyl-3-ethoxypropan-2-ol
CID 64660519
(1R)-1-(3-propylsulfanylphenyl)ethanol
CID 96718323
1-[3-(1-aminoethyl)phenyl]sulfanyl-3-butoxypropan-2-ol
CID 107264416
1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670816
1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol
CID 64665322
1-(3-but-2-enylsulfanylphenyl)ethanol
CID 77055275
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol (CID 64665099) is 1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CSc1cccc(C(C)O)c1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol?
The InChIKey is XWPFURFMWRSQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3S/c1-10(2)17-8-13(16)9-18-14-6-4-5-12(7-14)11(3)15/h4-7,10-11,13,15-16H,8-9H2,1-3H3.
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol?
1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol has a molecular weight of 270.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 64665099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).