ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone

C18H28O2 — CID 54374434

IUPACethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone
SMILESCC.COc1c(C(C)=O)cccc1C1CCCCC1C
InChIInChI=1S/C16H22O2.C2H6/c1-11-7-4-5-8-13(11)15-10-6-9-14(12(2)17)16(15)18-3;1-2/h6,9-11,13H,4-5,7-8H2,1-3H3;1-2H3
InChIKeyUVMHZSNMIJIFTM-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.22
Rot. Bonds3

About ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone

ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone (PubChem CID 54374434) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone.

Molecular Properties

Compound Nameethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone
PubChem CID54374434
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Nameethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone
SMILESCC.COc1c(C(C)=O)cccc1C1CCCCC1C
InChIInChI=1S/C16H22O2.C2H6/c1-11-7-4-5-8-13(11)15-10-6-9-14(12(2)17)16(15)18-3;1-2/h6,9-11,13H,4-5,7-8H2,1-3H3;1-2H3
InChIKeyUVMHZSNMIJIFTM-UHFFFAOYSA-N
XLogP5.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane
CID 163527973
3-cyclopropyl-2-methoxybenzoic acid
CID 69106312
1-(2-cyclopentyloxy-3-methylphenyl)ethanone
CID 82079338
2-(3-acetyl-2-methoxyphenyl)acetic acid
CID 175626652
3-acetyl-2-methoxybenzaldehyde
CID 148697874
2-[(1S,2S)-2-methylcyclohexyl]aniline
CID 124577862
1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
CID 117314118
1-[3-(fluoromethyl)-2-methoxyphenyl]ethanone
CID 84658415
2-(2,3,4-trimethoxyphenyl)cyclohexane-1-carboxamide
CID 56973896
1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone
CID 143528643
1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
CID 118593665
cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone?
The IUPAC name of ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone (CID 54374434) is ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone.
What is the SMILES notation for ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone?
The canonical SMILES for ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone is CC.COc1c(C(C)=O)cccc1C1CCCCC1C.
What is the InChIKey of ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone?
The InChIKey is UVMHZSNMIJIFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2.C2H6/c1-11-7-4-5-8-13(11)15-10-6-9-14(12(2)17)16(15)18-3;1-2/h6,9-11,13H,4-5,7-8H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone?
ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone has a molecular weight of 276.42 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-methoxy-3-(2-methylcyclohexyl)phenyl]ethanone is sourced from PubChem (CID 54374434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).