1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol

C15H14Cl2O2S — CID 2725988

IUPAC1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol
SMILESCS(=O)CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2O2S/c1-20(19)10-15(18,11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-9,18H,10H2,1H3
InChIKeyUCRPAYJRXYVEPQ-UHFFFAOYSA-N
MW329.25 g/mol
LogP3.61
Rot. Bonds4

About 1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol

1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol (PubChem CID 2725988) has the molecular formula C15H14Cl2O2S and a molecular weight of 329.25 g/mol. Its IUPAC name is 1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol.

Molecular Properties

Compound Name1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol
PubChem CID2725988
Molecular FormulaC15H14Cl2O2S
Molecular Weight329.25 g/mol
Exact Mass328.01
IUPAC Name1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol
SMILESCS(=O)CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2O2S/c1-20(19)10-15(18,11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-9,18H,10H2,1H3
InChIKeyUCRPAYJRXYVEPQ-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol?
The IUPAC name of 1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol (CID 2725988) is 1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol.
What is the SMILES notation for 1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol?
The canonical SMILES for 1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol is CS(=O)CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol?
The InChIKey is UCRPAYJRXYVEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2S/c1-20(19)10-15(18,11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-9,18H,10H2,1H3.
What are the key properties of 1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol?
1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol has a molecular weight of 329.25 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-chlorophenyl)-2-methylsulfinylethanol is sourced from PubChem (CID 2725988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).