2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone

C18H24O3 — CID 115799934

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
SMILESCOCCOc1ccccc1C(=O)CC1CC2CCC1C2
InChIInChI=1S/C18H24O3/c1-20-8-9-21-18-5-3-2-4-16(18)17(19)12-15-11-13-6-7-14(15)10-13/h2-5,13-15H,6-12H2,1H3
InChIKeyHWGIBGAXYYFIBI-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.72
Rot. Bonds7

About 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone (PubChem CID 115799934) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
PubChem CID115799934
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
SMILESCOCCOc1ccccc1C(=O)CC1CC2CCC1C2
InChIInChI=1S/C18H24O3/c1-20-8-9-21-18-5-3-2-4-16(18)17(19)12-15-11-13-6-7-14(15)10-13/h2-5,13-15H,6-12H2,1H3
InChIKeyHWGIBGAXYYFIBI-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide
CID 11944432
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethoxyphenyl)ethanone
CID 115784988
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)ethoxy]benzoic acid
CID 103250950
2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 103168074
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone
CID 114973514
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932872
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloronaphthalen-1-yl)ethanone
CID 79591378
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 103558943
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 4810871
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 11926440
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone (CID 115799934) is 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone is COCCOc1ccccc1C(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
The InChIKey is HWGIBGAXYYFIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-20-8-9-21-18-5-3-2-4-16(18)17(19)12-15-11-13-6-7-14(15)10-13/h2-5,13-15H,6-12H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone is sourced from PubChem (CID 115799934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).