2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid

C13H16O4 — CID 117344690

IUPAC2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
SMILESCOCc1cccc(C2(CC(=O)O)CC2)c1O
InChIInChI=1S/C13H16O4/c1-17-8-9-3-2-4-10(12(9)16)13(5-6-13)7-11(14)15/h2-4,16H,5-8H2,1H3,(H,14,15)
InChIKeyWYBKGXSIOYKZMN-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.04
Rot. Bonds5

About 2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid

2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid (PubChem CID 117344690) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
PubChem CID117344690
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
SMILESCOCc1cccc(C2(CC(=O)O)CC2)c1O
InChIInChI=1S/C13H16O4/c1-17-8-9-3-2-4-10(12(9)16)13(5-6-13)7-11(14)15/h2-4,16H,5-8H2,1H3,(H,14,15)
InChIKeyWYBKGXSIOYKZMN-UHFFFAOYSA-N
XLogP2.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787394
2-[1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449952
2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid
CID 117373794
2-[1-[5-bromo-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117481724
2-[1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449949
2-[1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449948
2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787396
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid
CID 84789631
2-[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopropyl]acetic acid
CID 117445927
2-[1-[2,3-dimethoxy-6-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449947

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid (CID 117344690) is 2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid is COCc1cccc(C2(CC(=O)O)CC2)c1O.
What is the InChIKey of 2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
The InChIKey is WYBKGXSIOYKZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-17-8-9-3-2-4-10(12(9)16)13(5-6-13)7-11(14)15/h2-4,16H,5-8H2,1H3,(H,14,15).
What are the key properties of 2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid?
2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid has a molecular weight of 236.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-hydroxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117344690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).