1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone

C16H22O3 — CID 43800872

IUPAC1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone
SMILESCOc1cccc(C(=O)COC2CCCC(C)C2)c1
InChIInChI=1S/C16H22O3/c1-12-5-3-8-15(9-12)19-11-16(17)13-6-4-7-14(10-13)18-2/h4,6-7,10,12,15H,3,5,8-9,11H2,1-2H3
InChIKeyRJUPHOHXDCJRQN-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.47
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone

1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone (PubChem CID 43800872) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone
PubChem CID43800872
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone
SMILESCOc1cccc(C(=O)COC2CCCC(C)C2)c1
InChIInChI=1S/C16H22O3/c1-12-5-3-8-15(9-12)19-11-16(17)13-6-4-7-14(10-13)18-2/h4,6-7,10,12,15H,3,5,8-9,11H2,1-2H3
InChIKeyRJUPHOHXDCJRQN-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylcyclohexyl)oxy-1-(3-methoxyphenyl)ethanone
CID 64728813
1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800886
1-(1,3-benzodioxol-5-yl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800920
2-(3-methylcyclohexyl)oxy-1-(4-methylsulfanylphenyl)ethanone
CID 43800934
1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800878
2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone
CID 43800873
cis-(1R,3S)-3-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 24722452
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 2852240
N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide
CID 86943907
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone (CID 43800872) is 1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone is COc1cccc(C(=O)COC2CCCC(C)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone?
The InChIKey is RJUPHOHXDCJRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12-5-3-8-15(9-12)19-11-16(17)13-6-4-7-14(10-13)18-2/h4,6-7,10,12,15H,3,5,8-9,11H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone?
1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone has a molecular weight of 262.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone is sourced from PubChem (CID 43800872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).