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

C16H16Cl2O4S — CID 40562244

IUPAC(2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol
SMILESO=S(=O)(Cc1ccccc1Cl)C[C@@H](O)COc1ccccc1Cl
InChIInChI=1S/C16H16Cl2O4S/c17-14-6-2-1-5-12(14)10-23(20,21)11-13(19)9-22-16-8-4-3-7-15(16)18/h1-8,13,19H,9-11H2/t13-/m0/s1
InChIKeyRJQWWHZYRBKVAY-ZDUSSCGKSA-N
MW375.27 g/mol
LogP3.35
Rot. Bonds7

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

(2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol (PubChem CID 40562244) has the molecular formula C16H16Cl2O4S and a molecular weight of 375.27 g/mol. Its IUPAC name is (2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol
PubChem CID40562244
Molecular FormulaC16H16Cl2O4S
Molecular Weight375.27 g/mol
Exact Mass374.01
IUPAC Name(2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol
SMILESO=S(=O)(Cc1ccccc1Cl)C[C@@H](O)COc1ccccc1Cl
InChIInChI=1S/C16H16Cl2O4S/c17-14-6-2-1-5-12(14)10-23(20,21)11-13(19)9-22-16-8-4-3-7-15(16)18/h1-8,13,19H,9-11H2/t13-/m0/s1
InChIKeyRJQWWHZYRBKVAY-ZDUSSCGKSA-N
XLogP3.35
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide
CID 103288038
2-amino-3-(2-chlorophenoxy)propane-1,1-diol
CID 156554315
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
CID 2914248
[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium
CID 2286972
5-[(2-hydroxy-3-phenoxypropyl)sulfonylmethyl]naphthalen-1-ol
CID 15886157
2-[(2-chlorophenoxy)methyl]-3-methylbutane-1-sulfonamide
CID 65012785
(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
(2R)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 124670195
1-[2-(aminomethyl)phenoxy]-3-(3-methoxypropylsulfonyl)propan-2-ol
CID 64696197
1-(2-chlorophenoxy)-5-methylhexane-2,3-diol
CID 118334255
1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine
CID 103290221

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol?
The IUPAC name of (2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol (CID 40562244) is (2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol.
What is the SMILES notation for (2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol?
The canonical SMILES for (2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol is O=S(=O)(Cc1ccccc1Cl)C[C@@H](O)COc1ccccc1Cl.
What is the InChIKey of (2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol?
The InChIKey is RJQWWHZYRBKVAY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16Cl2O4S/c17-14-6-2-1-5-12(14)10-23(20,21)11-13(19)9-22-16-8-4-3-7-15(16)18/h1-8,13,19H,9-11H2/t13-/m0/s1.
What are the key properties of (2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol?
(2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol has a molecular weight of 375.27 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol is sourced from PubChem (CID 40562244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).