1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid

C14H18O5 — CID 117419569

IUPAC1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCCOc1c(C2(C(=O)O)CC2)ccc(OC)c1OC
InChIInChI=1S/C14H18O5/c1-4-19-11-9(14(7-8-14)13(15)16)5-6-10(17-2)12(11)18-3/h5-6H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyZONALMAWUISCEP-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.22
Rot. Bonds6

About 1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid

1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117419569) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117419569
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCCOc1c(C2(C(=O)O)CC2)ccc(OC)c1OC
InChIInChI=1S/C14H18O5/c1-4-19-11-9(14(7-8-14)13(15)16)5-6-10(17-2)12(11)18-3/h5-6H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyZONALMAWUISCEP-UHFFFAOYSA-N
XLogP2.22
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426
1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117458268
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117410551
3-ethoxy-2,4-dimethoxybenzoic acid
CID 171009382
1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 82296346
1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117321558
2-ethoxy-3,4-dimethoxybenzamide
CID 141309813
1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117466659
1-(2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446124
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410189
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117394900

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid (CID 117419569) is 1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid is CCOc1c(C2(C(=O)O)CC2)ccc(OC)c1OC.
What is the InChIKey of 1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is ZONALMAWUISCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-4-19-11-9(14(7-8-14)13(15)16)5-6-10(17-2)12(11)18-3/h5-6H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of 1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 266.29 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117419569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).