(2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol

C16H16Cl2O3S — CID 11895499

IUPAC(2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol
SMILESO=[S@@](Cc1ccc(Cl)cc1)C[C@@H](O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2O3S/c17-13-3-1-12(2-4-13)10-22(20)11-15(19)9-21-16-7-5-14(18)6-8-16/h1-8,15,19H,9-11H2/t15-,22-/m0/s1
InChIKeyFYPQDPDLNJNVOV-NYHFZMIOSA-N
MW359.27 g/mol
LogP3.68
Rot. Bonds7

About (2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol

(2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol (PubChem CID 11895499) has the molecular formula C16H16Cl2O3S and a molecular weight of 359.27 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol
PubChem CID11895499
Molecular FormulaC16H16Cl2O3S
Molecular Weight359.27 g/mol
Exact Mass358.02
IUPAC Name(2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol
SMILESO=[S@@](Cc1ccc(Cl)cc1)C[C@@H](O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2O3S/c17-13-3-1-12(2-4-13)10-22(20)11-15(19)9-21-16-7-5-14(18)6-8-16/h1-8,15,19H,9-11H2/t15-,22-/m0/s1
InChIKeyFYPQDPDLNJNVOV-NYHFZMIOSA-N
XLogP3.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-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

(2S)-1-[(R)-benzylsulfinyl]-3-phenoxypropan-2-ol
CID 27171525
(2S)-1-[(S)-(4-chlorophenyl)methylsulfinyl]-3-prop-2-enoxypropan-2-ol
CID 11903704
(2R)-1-[(S)-(4-chlorophenyl)methylsulfinyl]-3-prop-2-enoxypropan-2-ol
CID 11903705
(2S)-1-[(R)-(4-chlorophenyl)methylsulfinyl]-3-prop-2-enoxypropan-2-ol
CID 11903702
1-[4-(aminomethyl)phenoxy]-3-butylsulfinylpropan-2-ol
CID 81328669
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
CID 105077329
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
CID 11255678
3-[(4-chlorophenyl)methylsulfinyl]-2-methylpropanoic acid
CID 64914967
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
(2S)-1-[(4-chlorophenyl)methylsulfonyl]-3-(4-fluorophenoxy)propan-2-ol
CID 6977008

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol?
The IUPAC name of (2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol (CID 11895499) is (2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol?
The canonical SMILES for (2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol is O=[S@@](Cc1ccc(Cl)cc1)C[C@@H](O)COc1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol?
The InChIKey is FYPQDPDLNJNVOV-NYHFZMIOSA-N. The full InChI is InChI=1S/C16H16Cl2O3S/c17-13-3-1-12(2-4-13)10-22(20)11-15(19)9-21-16-7-5-14(18)6-8-16/h1-8,15,19H,9-11H2/t15-,22-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol?
(2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol has a molecular weight of 359.27 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenoxy)-3-[(S)-(4-chlorophenyl)methylsulfinyl]propan-2-ol is sourced from PubChem (CID 11895499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).