2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone

C17H22O2 — CID 63497649

IUPAC2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)C1CC2CCC1C2
InChIInChI=1S/C17H22O2/c1-3-19-16-7-4-11(2)8-15(16)17(18)14-10-12-5-6-13(14)9-12/h4,7-8,12-14H,3,5-6,9-10H2,1-2H3
InChIKeyDFRRJPMEYDLFKZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.01
Rot. Bonds4

About 2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone

2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone (PubChem CID 63497649) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone
PubChem CID63497649
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)C1CC2CCC1C2
InChIInChI=1S/C17H22O2/c1-3-19-16-7-4-11(2)8-15(16)17(18)14-10-12-5-6-13(14)9-12/h4,7-8,12-14H,3,5-6,9-10H2,1-2H3
InChIKeyDFRRJPMEYDLFKZ-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone 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

2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone
CID 61365916
(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
CID 62302314
2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone
CID 61364147
1,4-dioxan-2-yl-(2-ethoxy-5-methylphenyl)methanone
CID 62799914
2-[2-chloro-2-(2-ethoxy-5-methylphenyl)ethyl]bicyclo[2.2.1]heptane
CID 63444504
2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 114247096
(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone
CID 43311304
2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-5-methylbenzoic acid
CID 98115664
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3,4-diethoxybenzamide
CID 100533999
2-bicyclo[2.2.1]heptanyl-(2-fluorophenyl)methanone
CID 12768266
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone
CID 99719002

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone (CID 63497649) is 2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone is CCOc1ccc(C)cc1C(=O)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone?
The InChIKey is DFRRJPMEYDLFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-3-19-16-7-4-11(2)8-15(16)17(18)14-10-12-5-6-13(14)9-12/h4,7-8,12-14H,3,5-6,9-10H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone?
2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone has a molecular weight of 258.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone is sourced from PubChem (CID 63497649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).