2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid

C13H16O4 — CID 117344693

IUPAC2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
SMILESCOc1cc(C2(CC(=O)O)CC2)c(O)cc1C
InChIInChI=1S/C13H16O4/c1-8-5-10(14)9(6-11(8)17-2)13(3-4-13)7-12(15)16/h5-6,14H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyKQKSYJNMPXQYDF-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.22
Rot. Bonds4

About 2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid

2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid (PubChem CID 117344693) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
PubChem CID117344693
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
SMILESCOc1cc(C2(CC(=O)O)CC2)c(O)cc1C
InChIInChI=1S/C13H16O4/c1-8-5-10(14)9(6-11(8)17-2)13(3-4-13)7-12(15)16/h5-6,14H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyKQKSYJNMPXQYDF-UHFFFAOYSA-N
XLogP2.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117373942
2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117394939
2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 117378973
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399
2-[1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449949
2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid
CID 117458288
2-[1-(5-ethyl-2,4-dihydroxyphenyl)cyclopropyl]acetic acid
CID 84798070
2-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]acetic acid
CID 117484005
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117415098
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-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid (CID 117344693) is 2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid is COc1cc(C2(CC(=O)O)CC2)c(O)cc1C.
What is the InChIKey of 2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid?
The InChIKey is KQKSYJNMPXQYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-8-5-10(14)9(6-11(8)17-2)13(3-4-13)7-12(15)16/h5-6,14H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid?
2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid has a molecular weight of 236.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117344693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).