1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid

C14H17FO4 — CID 117424249

IUPAC1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(F)cc(C2(C(=O)O)CC2)c1OC(C)C
InChIInChI=1S/C14H17FO4/c1-8(2)19-12-10(14(4-5-14)13(16)17)6-9(15)7-11(12)18-3/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeySKADVELZHZXAJN-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.74
Rot. Bonds5

About 1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid

1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117424249) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117424249
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(F)cc(C2(C(=O)O)CC2)c1OC(C)C
InChIInChI=1S/C14H17FO4/c1-8(2)19-12-10(14(4-5-14)13(16)17)6-9(15)7-11(12)18-3/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeySKADVELZHZXAJN-UHFFFAOYSA-N
XLogP2.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117352658
1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)cyclopentane-1-carboxylic acid
CID 117497834
[1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine
CID 117386387
1-(5-fluoro-2-methoxy-3-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419827
1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393688
1-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)cyclohexane-1-carboxylic acid
CID 117480935
1-(5-chloro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117394916
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117486934
1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclohexane-1-carboxylic acid
CID 117495347
1-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]cyclopropane-1-carboxylic acid
CID 117424245
1-(4-fluoro-3-methoxy-2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84799155
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid (CID 117424249) is 1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid is COc1cc(F)cc(C2(C(=O)O)CC2)c1OC(C)C.
What is the InChIKey of 1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is SKADVELZHZXAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO4/c1-8(2)19-12-10(14(4-5-14)13(16)17)6-9(15)7-11(12)18-3/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid?
1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117424249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).