2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone

C16H20O3 — CID 61364147

IUPAC2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C16H20O3/c1-18-12-5-6-15(19-2)14(9-12)16(17)13-8-10-3-4-11(13)7-10/h5-6,9-11,13H,3-4,7-8H2,1-2H3
InChIKeyNASFZJOUAYVOQM-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.32
Rot. Bonds4

About 2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone

2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone (PubChem CID 61364147) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone
PubChem CID61364147
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C16H20O3/c1-18-12-5-6-15(19-2)14(9-12)16(17)13-8-10-3-4-11(13)7-10/h5-6,9-11,13H,3-4,7-8H2,1-2H3
InChIKeyNASFZJOUAYVOQM-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone
CID 61365916
2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
CID 116918493
2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone
CID 63497649
(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975483
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-4-methoxybenzoic acid
CID 115411168
(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
CID 116826400
cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone
CID 68924260
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-bromo-5-methoxyphenyl)ethanone
CID 113383409
(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939210
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(2,5-dimethoxyphenyl)methanone
CID 116549288
(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone
CID 22491220
(1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878071

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone (CID 61364147) is 2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone is COc1ccc(OC)c(C(=O)C2CC3CCC2C3)c1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone?
The InChIKey is NASFZJOUAYVOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-18-12-5-6-15(19-2)14(9-12)16(17)13-8-10-3-4-11(13)7-10/h5-6,9-11,13H,3-4,7-8H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone?
2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone has a molecular weight of 260.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 61364147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).