(2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol

C18H21ClO5S — CID 6977014

IUPAC(2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccc(COC[C@@H](O)CS(=O)(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClO5S/c1-23-18-8-4-14(5-9-18)10-24-11-17(20)13-25(21,22)12-15-2-6-16(19)7-3-15/h2-9,17,20H,10-13H2,1H3/t17-/m1/s1
InChIKeyLWGDWIVCBASYEG-QGZVFWFLSA-N
MW384.88 g/mol
LogP2.84
Rot. Bonds9

About (2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol

(2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol (PubChem CID 6977014) has the molecular formula C18H21ClO5S and a molecular weight of 384.88 g/mol. Its IUPAC name is (2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
PubChem CID6977014
Molecular FormulaC18H21ClO5S
Molecular Weight384.88 g/mol
Exact Mass384.08
IUPAC Name(2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccc(COC[C@@H](O)CS(=O)(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClO5S/c1-23-18-8-4-14(5-9-18)10-24-11-17(20)13-25(21,22)12-15-2-6-16(19)7-3-15/h2-9,17,20H,10-13H2,1H3/t17-/m1/s1
InChIKeyLWGDWIVCBASYEG-QGZVFWFLSA-N
XLogP2.84
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.88
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977010
(2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 27171385
1-[(4-chlorophenyl)methylsulfonyl]-3-(4-fluorophenoxy)propan-2-ol
CID 2725853
(2S)-1-[(4-chlorophenyl)methylsulfonyl]-3-(4-fluorophenoxy)propan-2-ol
CID 6977008
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol
CID 3704416
(2S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6976990
[(1R)-2-[[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]azaniumyl]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2102563
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol
CID 5338960
1-[(4-chlorophenyl)methoxy]-3-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 3682063
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of (2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol (CID 6977014) is (2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol is COc1ccc(COC[C@@H](O)CS(=O)(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
The InChIKey is LWGDWIVCBASYEG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21ClO5S/c1-23-18-8-4-14(5-9-18)10-24-11-17(20)13-25(21,22)12-15-2-6-16(19)7-3-15/h2-9,17,20H,10-13H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
(2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol has a molecular weight of 384.88 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 6977014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).