1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid

C15H20O4 — CID 117415227

IUPAC1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C)c(OC)c1C1(C(=O)O)CCCC1
InChIInChI=1S/C15H20O4/c1-10-6-7-11(18-2)12(13(10)19-3)15(14(16)17)8-4-5-9-15/h6-7H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyFBYDVWUEBKYVHS-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.91
Rot. Bonds4

About 1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid

1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117415227) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117415227
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C)c(OC)c1C1(C(=O)O)CCCC1
InChIInChI=1S/C15H20O4/c1-10-6-7-11(18-2)12(13(10)19-3)15(14(16)17)8-4-5-9-15/h6-7H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyFBYDVWUEBKYVHS-UHFFFAOYSA-N
XLogP2.91
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446124
1-(2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344776
1-(2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 84787409
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117394900
1-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentane-1-carboxylic acid
CID 117438536
1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117442725
1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid
CID 117438562
1-(2-fluoro-3,6-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388593
2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117379119
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117458268
1-(2,6-difluoro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393652

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid (CID 117415227) is 1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid is COc1ccc(C)c(OC)c1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is FBYDVWUEBKYVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-10-6-7-11(18-2)12(13(10)19-3)15(14(16)17)8-4-5-9-15/h6-7H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of 1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid?
1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxy-3-methylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117415227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).