1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone

C20H30O3 — CID 149457140

IUPAC1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)C2CC(C)(C)CCC2C(C)C)cc1O
InChIInChI=1S/C20H30O3/c1-13(2)15-8-9-20(3,4)12-16(15)17(21)10-14-6-7-19(23-5)18(22)11-14/h6-7,11,13,15-16,22H,8-10,12H2,1-5H3
InChIKeyYYUBVDXQZOGUAN-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.61
Rot. Bonds5

About 1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone

1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone (PubChem CID 149457140) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone
PubChem CID149457140
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)C2CC(C)(C)CCC2C(C)C)cc1O
InChIInChI=1S/C20H30O3/c1-13(2)15-8-9-20(3,4)12-16(15)17(21)10-14-6-7-19(23-5)18(22)11-14/h6-7,11,13,15-16,22H,8-10,12H2,1-5H3
InChIKeyYYUBVDXQZOGUAN-UHFFFAOYSA-N
XLogP4.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethoxyphenyl)-1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)butan-1-one
CID 147106799
5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol
CID 82983306
5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol
CID 65115532
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
methyl (2S)-2-[(3-hydroxy-4-methoxyphenyl)methylamino]propanoate
CID 43723581
N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 122582300
N-(3-hydroxy-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 50906370
1-(2,2-dimethylcyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 107186738
5-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenol
CID 82981011
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
diethyl 2-[(3-hydroxy-4-methoxyphenyl)methyl]propanedioate
CID 59114437
1-(2-aminocyclohexyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116580018

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone (CID 149457140) is 1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone is COc1ccc(CC(=O)C2CC(C)(C)CCC2C(C)C)cc1O.
What is the InChIKey of 1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone?
The InChIKey is YYUBVDXQZOGUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3/c1-13(2)15-8-9-20(3,4)12-16(15)17(21)10-14-6-7-19(23-5)18(22)11-14/h6-7,11,13,15-16,22H,8-10,12H2,1-5H3.
What are the key properties of 1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone?
1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone has a molecular weight of 318.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-2-propan-2-ylcyclohexyl)-2-(3-hydroxy-4-methoxyphenyl)ethanone is sourced from PubChem (CID 149457140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).