6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one

C11H18O3 — CID 101414190

IUPAC6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
SMILESCOC1=C(C)CCC(O)(C(C)C)C1=O
InChIInChI=1S/C11H18O3/c1-7(2)11(13)6-5-8(3)9(14-4)10(11)12/h7,13H,5-6H2,1-4H3
InChIKeyPGZMSTXCRBLHFJ-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.66
Rot. Bonds2

About 6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one

6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one (PubChem CID 101414190) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
PubChem CID101414190
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
SMILESCOC1=C(C)CCC(O)(C(C)C)C1=O
InChIInChI=1S/C11H18O3/c1-7(2)11(13)6-5-8(3)9(14-4)10(11)12/h7,13H,5-6H2,1-4H3
InChIKeyPGZMSTXCRBLHFJ-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-2,3-dimethoxy-4-(2-methoxycyclohexen-1-yl)cyclobut-2-en-1-one
CID 102153604
2-methoxy-3-methylcyclohex-2-ene-1,4-dione
CID 5314614
(1E,5S,10R,12Z,14R,16R,17S,20R)-16-hydroxy-8-methoxy-2,5,13,16-tetramethyl-9-propan-2-yl-6,15,19-trioxatetracyclo[12.5.1.05,10.017,20]icosa-1,8,12-triene-7,18-dione
CID 102354388
(4R)-4-(4-chlorophenyl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 129383723
4-ethynyl-4-hydroxy-3-methoxy-2-methylcyclobut-2-en-1-one
CID 14813456
(6R)-5-amino-6-hydroxy-3-methoxy-2,6-dimethyl-4-[(2R)-2-methylbutanoyl]cyclohexa-2,4-dien-1-one
CID 162842416
(5R)-3,5-dihydroxy-2-methoxy-5-methylcyclohex-2-ene-1,4-dione
CID 170988459
cis-(2S,5R)-2-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 102456019
methyl (6R)-2,6-dimethyl-6-propan-2-ylcyclohexene-1-carboxylate
CID 101374950
2-(2-hydroxypropan-2-yl)-5-methoxy-3-methyl-6-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183877
5,8-dihydroxy-6-methoxy-1,2,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydrophenanthren-9-one
CID 14313618
propan-2-yl (2S)-2-hydroxy-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 162401307

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one?
The IUPAC name of 6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one (CID 101414190) is 6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one is COC1=C(C)CCC(O)(C(C)C)C1=O.
What is the InChIKey of 6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one?
The InChIKey is PGZMSTXCRBLHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-7(2)11(13)6-5-8(3)9(14-4)10(11)12/h7,13H,5-6H2,1-4H3.
What are the key properties of 6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one?
6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one has a molecular weight of 198.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methoxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 101414190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).