(1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol

C17H20O2S — CID 79222984

IUPAC(1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C17H20O2S/c1-2-17(18)14-8-10-15(11-9-14)19-12-13-20-16-6-4-3-5-7-16/h3-11,17-18H,2,12-13H2,1H3/t17-/m1/s1
InChIKeyJKYHFMMQHSQUFY-QGZVFWFLSA-N
MW288.41 g/mol
LogP4.30
Rot. Bonds7

About (1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol

(1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol (PubChem CID 79222984) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is (1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol
PubChem CID79222984
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name(1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C17H20O2S/c1-2-17(18)14-8-10-15(11-9-14)19-12-13-20-16-6-4-3-5-7-16/h3-11,17-18H,2,12-13H2,1H3/t17-/m1/s1
InChIKeyJKYHFMMQHSQUFY-QGZVFWFLSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-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

(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
1-[4-(2-methylsulfanylethoxy)phenyl]propan-1-ol
CID 115900486
(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol
CID 78933443
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
1-methyl-4-(2-phenylsulfanylethoxy)benzene
CID 21280733
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156
1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene
CID 79403925
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
CID 61071633
(1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol
CID 76965912
N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide
CID 92686107
5-[4-[(1R)-1-hydroxypropyl]phenoxy]pentanenitrile
CID 78933493

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol (CID 79222984) is (1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol is CC[C@@H](O)c1ccc(OCCSc2ccccc2)cc1.
What is the InChIKey of (1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol?
The InChIKey is JKYHFMMQHSQUFY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20O2S/c1-2-17(18)14-8-10-15(11-9-14)19-12-13-20-16-6-4-3-5-7-16/h3-11,17-18H,2,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol?
(1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol has a molecular weight of 288.41 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 79222984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).