2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol

C11H22O4S — CID 106873575

IUPAC2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
SMILESCOC1CCCCC1(O)CCCS(C)(=O)=O
InChIInChI=1S/C11H22O4S/c1-15-10-6-3-4-7-11(10,12)8-5-9-16(2,13)14/h10,12H,3-9H2,1-2H3
InChIKeyFYRJNPDZORVMLB-UHFFFAOYSA-N
MW250.36 g/mol
LogP1.13
Rot. Bonds5

About 2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol

2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol (PubChem CID 106873575) has the molecular formula C11H22O4S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
PubChem CID106873575
Molecular FormulaC11H22O4S
Molecular Weight250.36 g/mol
Exact Mass250.12
IUPAC Name2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
SMILESCOC1CCCCC1(O)CCCS(C)(=O)=O
InChIInChI=1S/C11H22O4S/c1-15-10-6-3-4-7-11(10,12)8-5-9-16(2,13)14/h10,12H,3-9H2,1-2H3
InChIKeyFYRJNPDZORVMLB-UHFFFAOYSA-N
XLogP1.13
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
CID 98010257
2-methoxy-1-pentylcyclohexan-1-ol
CID 106873594
2-methoxy-1-(3-phenylpropyl)cyclohexan-1-ol
CID 106873775
2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde
CID 106875208
2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol
CID 65149543
1-[(cyclopropylamino)methyl]-2-methoxycyclohexan-1-ol
CID 106874406
3,3-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
CID 65149018
N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]propan-2-amine
CID 63195697
1-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63192064
2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine
CID 63195650
1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol
CID 106873721
2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclobutyl]methyl]ethanamine
CID 65196474

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol?
The IUPAC name of 2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol (CID 106873575) is 2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol?
The canonical SMILES for 2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol is COC1CCCCC1(O)CCCS(C)(=O)=O.
What is the InChIKey of 2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol?
The InChIKey is FYRJNPDZORVMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4S/c1-15-10-6-3-4-7-11(10,12)8-5-9-16(2,13)14/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol?
2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol has a molecular weight of 250.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 106873575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).