2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid

C16H20O4 — CID 114391912

IUPAC2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCOc1ccc(C)cc1C(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C16H20O4/c1-9-4-5-14(20-3)13(6-9)15(17)11-7-10(2)8-12(11)16(18)19/h4-6,10-12H,7-8H2,1-3H3,(H,18,19)
InChIKeyJSGKLFLZMVNSBV-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.93
Rot. Bonds4

About 2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid

2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114391912) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
PubChem CID114391912
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCOc1ccc(C)cc1C(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C16H20O4/c1-9-4-5-14(20-3)13(6-9)15(17)11-7-10(2)8-12(11)16(18)19/h4-6,10-12H,7-8H2,1-3H3,(H,18,19)
InChIKeyJSGKLFLZMVNSBV-UHFFFAOYSA-N
XLogP2.93
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
CID 116918493
2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391792
(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
CID 65401520
2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone
CID 61365916
(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
CID 62795415
2-(2,4-dimethylbenzoyl)cyclopropane-1-carboxylic acid
CID 116918498
3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551811
4-[(2-methoxy-5-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209113
2-(4-fluoro-3,5-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114392026
2-(2-methoxy-5-methylphenyl)cycloheptane-1-carboxylic acid
CID 81008451
2-(4-methoxy-3-propan-2-ylbenzoyl)cyclopropane-1-carboxylic acid
CID 116918505
ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone
CID 142095957

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid (CID 114391912) is 2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid is COc1ccc(C)cc1C(=O)C1CC(C)CC1C(=O)O.
What is the InChIKey of 2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is JSGKLFLZMVNSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-9-4-5-14(20-3)13(6-9)15(17)11-7-10(2)8-12(11)16(18)19/h4-6,10-12H,7-8H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid?
2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 276.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).