(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone

C15H20O2 — CID 65401520

IUPAC(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1CCC(C)C1
InChIInChI=1S/C15H20O2/c1-10-4-6-12(8-10)15(16)13-9-11(2)5-7-14(13)17-3/h5,7,9-10,12H,4,6,8H2,1-3H3
InChIKeySMHHHGFKOXMHGO-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.62
Rot. Bonds3

About (2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone

(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone (PubChem CID 65401520) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
PubChem CID65401520
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
SMILESCOc1ccc(C)cc1C(=O)C1CCC(C)C1
InChIInChI=1S/C15H20O2/c1-10-4-6-12(8-10)15(16)13-9-11(2)5-7-14(13)17-3/h5,7,9-10,12H,4,6,8H2,1-3H3
InChIKeySMHHHGFKOXMHGO-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
CID 62795415
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402780
(2-methoxy-5-methylphenyl)-(4-propylcyclohexyl)methanone
CID 65423286
2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391912
3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551811
(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975483
cyclopropyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161691
2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone
CID 61365916
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 171947109
8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone
CID 171947080
(2-chlorophenyl)-(3-methylcyclopentyl)methanone
CID 65402941
[(3R)-3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-(2-methoxy-5-methylphenyl)methanone
CID 143823679

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone?
The IUPAC name of (2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone (CID 65401520) is (2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone?
The canonical SMILES for (2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone is COc1ccc(C)cc1C(=O)C1CCC(C)C1.
What is the InChIKey of (2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone?
The InChIKey is SMHHHGFKOXMHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-4-6-12(8-10)15(16)13-9-11(2)5-7-14(13)17-3/h5,7,9-10,12H,4,6,8H2,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone?
(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone has a molecular weight of 232.32 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-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone is sourced from PubChem (CID 65401520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).