2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid

C12H13ClO4 — CID 117394939

IUPAC2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1cc(Cl)c(C2(CC(=O)O)CC2)cc1O
InChIInChI=1S/C12H13ClO4/c1-17-10-5-8(13)7(4-9(10)14)12(2-3-12)6-11(15)16/h4-5,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyJRWPGBXIUWANGY-UHFFFAOYSA-N
MW256.68 g/mol
LogP2.56
Rot. Bonds4

About 2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid

2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid (PubChem CID 117394939) has the molecular formula C12H13ClO4 and a molecular weight of 256.68 g/mol. Its IUPAC name is 2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid
PubChem CID117394939
Molecular FormulaC12H13ClO4
Molecular Weight256.68 g/mol
Exact Mass256.05
IUPAC Name2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid
SMILESCOc1cc(Cl)c(C2(CC(=O)O)CC2)cc1O
InChIInChI=1S/C12H13ClO4/c1-17-10-5-8(13)7(4-9(10)14)12(2-3-12)6-11(15)16/h4-5,14H,2-3,6H2,1H3,(H,15,16)
InChIKeyJRWPGBXIUWANGY-UHFFFAOYSA-N
XLogP2.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.68
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 105425975
2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 117344693
2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid
CID 117458288
2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117415098
2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446176
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640
2-[1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)cyclopropyl]acetic acid
CID 117466386
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
2-[1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449949
1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117348579
2-[1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449948

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid (CID 117394939) is 2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid is COc1cc(Cl)c(C2(CC(=O)O)CC2)cc1O.
What is the InChIKey of 2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid?
The InChIKey is JRWPGBXIUWANGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO4/c1-17-10-5-8(13)7(4-9(10)14)12(2-3-12)6-11(15)16/h4-5,14H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid?
2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid has a molecular weight of 256.68 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117394939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).