2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone

C17H24O3 — CID 115785355

IUPAC2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(OC)cc(C(=O)CC2CCCCCC2)c1
InChIInChI=1S/C17H24O3/c1-19-15-10-14(11-16(12-15)20-2)17(18)9-13-7-5-3-4-6-8-13/h10-13H,3-9H2,1-2H3
InChIKeyPMFCKFYZLGNEMX-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.25
Rot. Bonds5

About 2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone

2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone (PubChem CID 115785355) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone
PubChem CID115785355
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(OC)cc(C(=O)CC2CCCCCC2)c1
InChIInChI=1S/C17H24O3/c1-19-15-10-14(11-16(12-15)20-2)17(18)9-13-7-5-3-4-6-8-13/h10-13H,3-9H2,1-2H3
InChIKeyPMFCKFYZLGNEMX-UHFFFAOYSA-N
XLogP4.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone
CID 115793367
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322
1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone
CID 54920032
2-cyclohexyl-1-(3,4,5-trifluorophenyl)ethanone
CID 62620273
2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 83057486
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 115785484
N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108539452
2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide
CID 90359222
N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide
CID 9496167
2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971407

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone (CID 115785355) is 2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone is COc1cc(OC)cc(C(=O)CC2CCCCCC2)c1.
What is the InChIKey of 2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone?
The InChIKey is PMFCKFYZLGNEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-19-15-10-14(11-16(12-15)20-2)17(18)9-13-7-5-3-4-6-8-13/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone?
2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone is sourced from PubChem (CID 115785355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).