1-chloro-4-(cyclohexylsulfinylmethyl)benzene

C13H17ClOS — CID 123105150

IUPAC1-chloro-4-(cyclohexylsulfinylmethyl)benzene
SMILESO=S(Cc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C13H17ClOS/c14-12-8-6-11(7-9-12)10-16(15)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2
InChIKeyFCCHRGMNEHBIDF-UHFFFAOYSA-N
MW256.80 g/mol
LogP3.92
Rot. Bonds3

About 1-chloro-4-(cyclohexylsulfinylmethyl)benzene

1-chloro-4-(cyclohexylsulfinylmethyl)benzene (PubChem CID 123105150) has the molecular formula C13H17ClOS and a molecular weight of 256.80 g/mol. Its IUPAC name is 1-chloro-4-(cyclohexylsulfinylmethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(cyclohexylsulfinylmethyl)benzene
PubChem CID123105150
Molecular FormulaC13H17ClOS
Molecular Weight256.80 g/mol
Exact Mass256.07
IUPAC Name1-chloro-4-(cyclohexylsulfinylmethyl)benzene
SMILESO=S(Cc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C13H17ClOS/c14-12-8-6-11(7-9-12)10-16(15)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2
InChIKeyFCCHRGMNEHBIDF-UHFFFAOYSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(cyclohexylsulfinylmethyl)benzene?
The IUPAC name of 1-chloro-4-(cyclohexylsulfinylmethyl)benzene (CID 123105150) is 1-chloro-4-(cyclohexylsulfinylmethyl)benzene.
What is the SMILES notation for 1-chloro-4-(cyclohexylsulfinylmethyl)benzene?
The canonical SMILES for 1-chloro-4-(cyclohexylsulfinylmethyl)benzene is O=S(Cc1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 1-chloro-4-(cyclohexylsulfinylmethyl)benzene?
The InChIKey is FCCHRGMNEHBIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClOS/c14-12-8-6-11(7-9-12)10-16(15)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2.
What are the key properties of 1-chloro-4-(cyclohexylsulfinylmethyl)benzene?
1-chloro-4-(cyclohexylsulfinylmethyl)benzene has a molecular weight of 256.80 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(cyclohexylsulfinylmethyl)benzene is sourced from PubChem (CID 123105150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).