1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol

C14H19ClO3S — CID 75395480

IUPAC1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol
SMILESO=S(=O)(Cc1ccc(Cl)cc1)CC1(O)CCCCC1
InChIInChI=1S/C14H19ClO3S/c15-13-6-4-12(5-7-13)10-19(17,18)11-14(16)8-2-1-3-9-14/h4-7,16H,1-3,8-11H2
InChIKeyXTCHMVDOMHJQAX-UHFFFAOYSA-N
MW302.82 g/mol
LogP2.95
Rot. Bonds4

About 1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol

1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol (PubChem CID 75395480) has the molecular formula C14H19ClO3S and a molecular weight of 302.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol
PubChem CID75395480
Molecular FormulaC14H19ClO3S
Molecular Weight302.82 g/mol
Exact Mass302.07
IUPAC Name1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol
SMILESO=S(=O)(Cc1ccc(Cl)cc1)CC1(O)CCCCC1
InChIInChI=1S/C14H19ClO3S/c15-13-6-4-12(5-7-13)10-19(17,18)11-14(16)8-2-1-3-9-14/h4-7,16H,1-3,8-11H2
InChIKeyXTCHMVDOMHJQAX-UHFFFAOYSA-N
XLogP2.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Benzylsulfonyl)-2-(4-chlorophenyl)-2-propanol
CID 3728084
2-[(4-Chlorobenzyl)sulfonyl]cyclohexan-1-ol
CID 2725943
2-(4-Chlorophenyl)-1-[(4-methylbenzyl)sulfonyl]-2-propanol
CID 3726665
Bis[4-chlorobenzyl]sulfone
CID 346670
1-chloro-4-[[(E)-2-phenylethenyl]sulfonylmethyl]benzene
CID 14894770
1-Chloro-4-[2-[2-[(4-chlorophenyl)methylsulfanyl]ethylsulfonyl]ethylsulfanylmethyl]benzene
CID 2806248
2-((2,4-Dichlorobenzyl)sulfonyl)cyclohexan-1-ol
CID 2725944
2-[(4-Chlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)ethanol
CID 69294035
1-Chloro-4-[(phenylmethanesulfonyl)methyl]benzene
CID 71355748
1-Chloro-4-(cyclohexylsulfinylmethyl)benzene
CID 123105150
1-[(2-Chloro-4-fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol
CID 75395477
1-[(2-Fluorophenyl)methylsulfonylmethyl]cyclohexan-1-ol
CID 75395479

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol (CID 75395480) is 1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol is O=S(=O)(Cc1ccc(Cl)cc1)CC1(O)CCCCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol?
The InChIKey is XTCHMVDOMHJQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3S/c15-13-6-4-12(5-7-13)10-19(17,18)11-14(16)8-2-1-3-9-14/h4-7,16H,1-3,8-11H2.
What are the key properties of 1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol?
1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol has a molecular weight of 302.82 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 75395480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).