2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid

C14H18O5 — CID 115003452

IUPAC2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1ccc(C2(CC(=O)O)CC2)c(OC)c1OC
InChIInChI=1S/C14H18O5/c1-17-10-5-4-9(12(18-2)13(10)19-3)14(6-7-14)8-11(15)16/h4-5H,6-8H2,1-3H3,(H,15,16)
InChIKeyFZIWXGQCRRCCOP-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.22
Rot. Bonds6

About 2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid

2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid (PubChem CID 115003452) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
PubChem CID115003452
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1ccc(C2(CC(=O)O)CC2)c(OC)c1OC
InChIInChI=1S/C14H18O5/c1-17-10-5-4-9(12(18-2)13(10)19-3)14(6-7-14)8-11(15)16/h4-5H,6-8H2,1-3H3,(H,15,16)
InChIKeyFZIWXGQCRRCCOP-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

2-[1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117453838
2-[1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449951
2-[1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449952
2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117379119
2-[1-(3-fluoro-4-hydroxy-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800393
2-[1-[2,3-dimethoxy-6-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449947
2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid
CID 117415115
2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
CID 117410634
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640
2-[1-(5-ethyl-2,3-dimethoxyphenyl)cyclopropyl]acetic acid
CID 117415105
2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid
CID 84789631
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid (CID 115003452) is 2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid is COc1ccc(C2(CC(=O)O)CC2)c(OC)c1OC.
What is the InChIKey of 2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid?
The InChIKey is FZIWXGQCRRCCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-17-10-5-4-9(12(18-2)13(10)19-3)14(6-7-14)8-11(15)16/h4-5H,6-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid?
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic 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 2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 115003452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).