2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one

C11H20O3 — CID 118486366

IUPAC2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one
SMILESCOC1CCC(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C11H20O3/c1-11(2,13)10(12)8-4-6-9(14-3)7-5-8/h8-9,13H,4-7H2,1-3H3
InChIKeyNKQUPOJILVRQLD-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.53
Rot. Bonds3

About 2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one

2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one (PubChem CID 118486366) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one
PubChem CID118486366
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one
SMILESCOC1CCC(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C11H20O3/c1-11(2,13)10(12)8-4-6-9(14-3)7-5-8/h8-9,13H,4-7H2,1-3H3
InChIKeyNKQUPOJILVRQLD-UHFFFAOYSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one?
The IUPAC name of 2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one (CID 118486366) is 2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one is COC1CCC(C(=O)C(C)(C)O)CC1.
What is the InChIKey of 2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one?
The InChIKey is NKQUPOJILVRQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-11(2,13)10(12)8-4-6-9(14-3)7-5-8/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one?
2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one has a molecular weight of 200.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one is sourced from PubChem (CID 118486366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).