1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone

C18H26O3 — CID 116750169

IUPAC1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)C2(OC)CCC(C)(C)CC2)c1
InChIInChI=1S/C18H26O3/c1-17(2)8-10-18(21-4,11-9-17)16(19)13-14-6-5-7-15(12-14)20-3/h5-7,12H,8-11,13H2,1-4H3
InChIKeyULOFENLBAAYSAI-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.79
Rot. Bonds5

About 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone

1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone (PubChem CID 116750169) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone
PubChem CID116750169
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)C2(OC)CCC(C)(C)CC2)c1
InChIInChI=1S/C18H26O3/c1-17(2)8-10-18(21-4,11-9-17)16(19)13-14-6-5-7-15(12-14)20-3/h5-7,12H,8-11,13H2,1-4H3
InChIKeyULOFENLBAAYSAI-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749228
1-[1-(4-aminophenyl)cyclopropyl]-2-(3-methoxyphenyl)ethanone
CID 116611695
1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 104610106
2-(3-bromo-5-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750349
1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
CID 61077701
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 158389550
N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 102639186
1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one
CID 116614341
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
1-[(3-methoxyphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65389386

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone (CID 116750169) is 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)C2(OC)CCC(C)(C)CC2)c1.
What is the InChIKey of 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone?
The InChIKey is ULOFENLBAAYSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-17(2)8-10-18(21-4,11-9-17)16(19)13-14-6-5-7-15(12-14)20-3/h5-7,12H,8-11,13H2,1-4H3.
What are the key properties of 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone?
1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone has a molecular weight of 290.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 116750169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).