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

C16H20O2 — CID 61365916

IUPAC2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1CC2CCC1C2
InChIInChI=1S/C16H20O2/c1-10-3-6-15(18-2)14(7-10)16(17)13-9-11-4-5-12(13)8-11/h3,6-7,11-13H,4-5,8-9H2,1-2H3
InChIKeyMDFSWOIGIXFFIE-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.62
Rot. Bonds3

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

2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone (PubChem CID 61365916) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone
PubChem CID61365916
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1CC2CCC1C2
InChIInChI=1S/C16H20O2/c1-10-3-6-15(18-2)14(7-10)16(17)13-9-11-4-5-12(13)8-11/h3,6-7,11-13H,4-5,8-9H2,1-2H3
InChIKeyMDFSWOIGIXFFIE-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone
CID 61364147
2-bicyclo[2.2.1]heptanyl-(2-ethoxy-5-methylphenyl)methanone
CID 63497649
2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391912
(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
CID 65401520
(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
CID 62795415
2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-5-methylbenzoic acid
CID 98115664
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
(2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone
CID 65423286
N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 47024485
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 11923511
N-[(Z)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethylideneamino]-3,4-dimethoxybenzamide
CID 7459310

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone (CID 61365916) is 2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is MDFSWOIGIXFFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-10-3-6-15(18-2)14(7-10)16(17)13-9-11-4-5-12(13)8-11/h3,6-7,11-13H,4-5,8-9H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone?
2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 244.33 g/mol, XLogP of 3.62, 3 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-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 61365916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).