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

Name: 2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₂₂O₄S — CID 106873575

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
PubChem CID	106873575
Molecular Formula	C₁₁H₂₂O₄S
Molecular Weight	250.36 g/mol
Exact Mass	250.12
IUPAC Name	2-methoxy-1-(3-methylsulfonylpropyl)cyclohexan-1-ol
SMILES	COC1CCCCC1(O)CCCS(C)(=O)=O
InChI	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
InChIKey	FYRJNPDZORVMLB-UHFFFAOYSA-N
XLogP	1.13
TPSA	63.60 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.36
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 106873575 — identifiers, structure, computed properties (public domain)

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