2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid

C14H17ClO4 — CID 117458288

IUPAC2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid
SMILESCOc1cc(C2(CC(=O)O)CC2)c(C)c(Cl)c1OC
InChIInChI=1S/C14H17ClO4/c1-8-9(14(4-5-14)7-11(16)17)6-10(18-2)13(19-3)12(8)15/h6H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyDMCBNLLKAYNPPQ-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.17
Rot. Bonds5

About 2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid

2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid (PubChem CID 117458288) has the molecular formula C14H17ClO4 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid
PubChem CID117458288
Molecular FormulaC14H17ClO4
Molecular Weight284.74 g/mol
Exact Mass284.08
IUPAC Name2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid
SMILESCOc1cc(C2(CC(=O)O)CC2)c(C)c(Cl)c1OC
InChIInChI=1S/C14H17ClO4/c1-8-9(14(4-5-14)7-11(16)17)6-10(18-2)13(19-3)12(8)15/h6H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyDMCBNLLKAYNPPQ-UHFFFAOYSA-N
XLogP3.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(5-ethyl-2,3-dimethoxyphenyl)cyclopropyl]acetic acid
CID 117415105
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid
CID 117450627
2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 117344693
2-[1-(2,3-dimethoxy-5-methoxycarbonylphenyl)cyclopropyl]acetic acid
CID 117474721
2-[1-(2-chloro-5-methoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117389825
2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117394939
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640
2-[1-(4-bromo-2-methoxy-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 117498243
2-[1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)cyclopropyl]acetic acid
CID 117466386

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid (CID 117458288) is 2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid is COc1cc(C2(CC(=O)O)CC2)c(C)c(Cl)c1OC.
What is the InChIKey of 2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid?
The InChIKey is DMCBNLLKAYNPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO4/c1-8-9(14(4-5-14)7-11(16)17)6-10(18-2)13(19-3)12(8)15/h6H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid?
2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid has a molecular weight of 284.74 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117458288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).