1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone

C15H18O2 — CID 117051795

IUPAC1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OC1CC2CCC1C2
InChIInChI=1S/C15H18O2/c1-10(16)13-4-2-3-5-14(13)17-15-9-11-6-7-12(15)8-11/h2-5,11-12,15H,6-9H2,1H3
InChIKeyVTCBJGAEUMZUFM-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.46
Rot. Bonds3

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

1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone (PubChem CID 117051795) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone
PubChem CID117051795
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OC1CC2CCC1C2
InChIInChI=1S/C15H18O2/c1-10(16)13-4-2-3-5-14(13)17-15-9-11-6-7-12(15)8-11/h2-5,11-12,15H,6-9H2,1H3
InChIKeyVTCBJGAEUMZUFM-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate
CID 117053875
(1R,2R,4R)-2-(2-methoxyphenoxy)bicyclo[2.2.1]heptane
CID 18556056
N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine
CID 114245396
(1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol
CID 114245584
[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine
CID 152547672
1-[2-(4-aminocyclohexyl)oxyphenyl]ethanone
CID 117051794
3-(2-acetylphenoxy)pyrrolidin-2-one
CID 117051792
4-amino-2-(2-bicyclo[2.2.1]heptanyloxy)benzoic acid
CID 114245708
3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzoyl chloride
CID 10016547
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl] benzoate
CID 11593734
1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone
CID 82037392
1-[2-[[(1R,2S)-2-methylcyclohexyl]methoxy]phenyl]ethanone
CID 143528643

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone (CID 117051795) is 1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone is CC(=O)c1ccccc1OC1CC2CCC1C2.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone?
The InChIKey is VTCBJGAEUMZUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-10(16)13-4-2-3-5-14(13)17-15-9-11-6-7-12(15)8-11/h2-5,11-12,15H,6-9H2,1H3.
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone?
1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone has a molecular weight of 230.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanone is sourced from PubChem (CID 117051795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).