2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid

C15H18O6 — CID 117474721

IUPAC2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid
SMILESCOC(=O)c1cc(OC)c(OC)c(C2(CC(=O)O)CC2)c1
InChIInChI=1S/C15H18O6/c1-19-11-7-9(14(18)21-3)6-10(13(11)20-2)15(4-5-15)8-12(16)17/h6-7H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyMZRYEASJJWVGTM-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.00
Rot. Bonds6

About 2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid

2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid (PubChem CID 117474721) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid
PubChem CID117474721
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid
SMILESCOC(=O)c1cc(OC)c(OC)c(C2(CC(=O)O)CC2)c1
InChIInChI=1S/C15H18O6/c1-19-11-7-9(14(18)21-3)6-10(13(11)20-2)15(4-5-15)8-12(16)17/h6-7H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyMZRYEASJJWVGTM-UHFFFAOYSA-N
XLogP2.00
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-ethyl-2,3-dimethoxyphenyl)cyclopropyl]acetic acid
CID 117415105
2-[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopropyl]acetic acid
CID 117477593
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid
CID 117458288
2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 117378973
2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117389898
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640
2-[1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449951
2-[1-(4-bromo-2-methoxy-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 117498243
2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 117344693
2-[1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449949
2-[1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117453838

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid (CID 117474721) is 2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid is COC(=O)c1cc(OC)c(OC)c(C2(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid?
The InChIKey is MZRYEASJJWVGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O6/c1-19-11-7-9(14(18)21-3)6-10(13(11)20-2)15(4-5-15)8-12(16)17/h6-7H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid?
2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid has a molecular weight of 294.30 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117474721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).