1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid

C15H19FO4 — CID 117453646

IUPAC1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1c(F)cc(C2(C(=O)O)CCCC2)c(C)c1OC
InChIInChI=1S/C15H19FO4/c1-9-10(15(14(17)18)6-4-5-7-15)8-11(16)13(20-3)12(9)19-2/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyDIWQPHZJZSCHGO-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.05
Rot. Bonds4

About 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid

1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117453646) has the molecular formula C15H19FO4 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117453646
Molecular FormulaC15H19FO4
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1c(F)cc(C2(C(=O)O)CCCC2)c(C)c1OC
InChIInChI=1S/C15H19FO4/c1-9-10(15(14(17)18)6-4-5-7-15)8-11(16)13(20-3)12(9)19-2/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyDIWQPHZJZSCHGO-UHFFFAOYSA-N
XLogP3.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393688
1-(2,5-difluoro-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117357150
1-(4-fluoro-3-methoxy-2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84799155
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419815
1-(4-fluoro-2,3-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388602
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopropan-1-ol
CID 117325333
1-(5-chloro-2,3-dimethoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117497845
1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446109
1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419827
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117477551
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117348898
1-(4,5-difluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117388740

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid (CID 117453646) is 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid is COc1c(F)cc(C2(C(=O)O)CCCC2)c(C)c1OC.
What is the InChIKey of 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is DIWQPHZJZSCHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO4/c1-9-10(15(14(17)18)6-4-5-7-15)8-11(16)13(20-3)12(9)19-2/h8H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid?
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 282.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117453646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).