hydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane

C15H24O2S — CID 164671246

IUPAChydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane
SMILESCOC1CCCCC1S(C)(O)c1ccc(C)cc1
InChIInChI=1S/C15H24O2S/c1-12-8-10-13(11-9-12)18(3,16)15-7-5-4-6-14(15)17-2/h8-11,14-16H,4-7H2,1-3H3
InChIKeyILXXCRPLDWPKTE-UHFFFAOYSA-N
MW268.42 g/mol
LogP4.22
Rot. Bonds3

About hydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane

hydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane (PubChem CID 164671246) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is hydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane.

Molecular Properties

Compound Namehydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane
PubChem CID164671246
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Namehydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane
SMILESCOC1CCCCC1S(C)(O)c1ccc(C)cc1
InChIInChI=1S/C15H24O2S/c1-12-8-10-13(11-9-12)18(3,16)15-7-5-4-6-14(15)17-2/h8-11,14-16H,4-7H2,1-3H3
InChIKeyILXXCRPLDWPKTE-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S)-2-methoxycyclohexyl] 4-methylbenzenesulfonate
CID 12700779
1-[[(1S,2R)-2-methoxycyclohexyl]methylsulfonyl]-4-methylbenzene
CID 11781005
[(1S,2R)-2-methoxycyclohexyl]sulfonylbenzene
CID 102011158
(2-cyclohexylcyclohexyl) 4-methylbenzenesulfonate
CID 18989073
(2-methylsulfonyloxycyclohexyl) 4-methylbenzenesulfonate
CID 139842126
(1S,2R,6S)-2-methoxy-7-(4-methylphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 101370816
trans-(1R,2R)-2-methoxy-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohexan-1-amine
CID 99854602
[(1R,2R)-2-hydroxycyclopentyl] 4-methylbenzenesulfonate
CID 102005144
trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol
CID 13212964
[2-(4-methylphenyl)sulfonyloxycyclohexyl] acetate
CID 12768494
(4-methoxypyrrolidin-3-yl) 4-methylbenzenesulfonate
CID 72790248
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239

Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane?
The IUPAC name of hydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane (CID 164671246) is hydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane.
What is the SMILES notation for hydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane?
The canonical SMILES for hydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane is COC1CCCCC1S(C)(O)c1ccc(C)cc1.
What is the InChIKey of hydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane?
The InChIKey is ILXXCRPLDWPKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c1-12-8-10-13(11-9-12)18(3,16)15-7-5-4-6-14(15)17-2/h8-11,14-16H,4-7H2,1-3H3.
What are the key properties of hydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane?
hydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane has a molecular weight of 268.42 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-methoxycyclohexyl)-methyl-(4-methylphenyl)-λ4-sulfane is sourced from PubChem (CID 164671246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).