2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid

C13H15ClO3 — CID 117389898

IUPAC2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid
SMILESCOc1c(C)cc(Cl)cc1C1(CC(=O)O)CC1
InChIInChI=1S/C13H15ClO3/c1-8-5-9(14)6-10(12(8)17-2)13(3-4-13)7-11(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyNDESGPXXUQSKRY-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.16
Rot. Bonds4

About 2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid

2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid (PubChem CID 117389898) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid
PubChem CID117389898
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid
SMILESCOc1c(C)cc(Cl)cc1C1(CC(=O)O)CC1
InChIInChI=1S/C13H15ClO3/c1-8-5-9(14)6-10(12(8)17-2)13(3-4-13)7-11(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyNDESGPXXUQSKRY-UHFFFAOYSA-N
XLogP3.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chloro-5-methoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117389825
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
2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid
CID 84789847
2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84799380
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-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640
2-[1-(2-chloro-5-hydroxy-3-methylphenyl)cyclopropyl]acetic acid
CID 84800621
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid (CID 117389898) is 2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid is COc1c(C)cc(Cl)cc1C1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid?
The InChIKey is NDESGPXXUQSKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c1-8-5-9(14)6-10(12(8)17-2)13(3-4-13)7-11(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid?
2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid has a molecular weight of 254.71 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117389898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).