1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone

C16H22O2 — CID 143528643

IUPAC1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OC[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C16H22O2/c1-12-7-3-4-8-14(12)11-18-16-10-6-5-9-15(16)13(2)17/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3/t12-,14-/m0/s1
InChIKeyAZNFYHVKRWRKBY-JSGCOSHPSA-N
MW246.35 g/mol
LogP4.09
Rot. Bonds4

About 1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone

1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone (PubChem CID 143528643) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone
PubChem CID143528643
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OC[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C16H22O2/c1-12-7-3-4-8-14(12)11-18-16-10-6-5-9-15(16)13(2)17/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3/t12-,14-/m0/s1
InChIKeyAZNFYHVKRWRKBY-JSGCOSHPSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]phenyl]ethanone
CID 43128843
2-[2-[(2-methylcyclopentyl)methylamino]ethoxy]benzoic acid
CID 107419482
1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone
CID 62030623
4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid
CID 68604731
1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074
1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 1248675
1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
CID 43426605
1-[2-[2-(3-methylcyclohexyl)oxyethoxy]phenyl]ethanone
CID 43793785
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 25278451
1-[2-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethoxy]phenyl]ethanone
CID 7379412
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone (CID 143528643) is 1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone is CC(=O)c1ccccc1OC[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of 1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone?
The InChIKey is AZNFYHVKRWRKBY-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H22O2/c1-12-7-3-4-8-14(12)11-18-16-10-6-5-9-15(16)13(2)17/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of 1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone?
1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone is sourced from PubChem (CID 143528643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).