2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid

C14H18O4 — CID 117378973

IUPAC2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid
SMILESCOc1c(C)c(C2(CC(=O)O)CC2)cc(C)c1O
InChIInChI=1S/C14H18O4/c1-8-6-10(9(2)13(18-3)12(8)17)14(4-5-14)7-11(15)16/h6,17H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyARYFRDHDYOWMMJ-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.52
Rot. Bonds4

About 2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid

2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid (PubChem CID 117378973) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid
PubChem CID117378973
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid
SMILESCOc1c(C)c(C2(CC(=O)O)CC2)cc(C)c1O
InChIInChI=1S/C14H18O4/c1-8-6-10(9(2)13(18-3)12(8)17)14(4-5-14)7-11(15)16/h6,17H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyARYFRDHDYOWMMJ-UHFFFAOYSA-N
XLogP2.52
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-bromo-2-methoxy-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 117498243
2-[1-(3-chloro-4,5-dimethoxy-2-methylphenyl)cyclopropyl]acetic acid
CID 117458288
2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 117344693
2-[1-(5-chloro-2-methoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117389898
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-(2,3-dimethyl-5-methylsulfonylphenyl)cyclopropyl]acetic acid
CID 117453870
2-[1-(5-ethyl-2,3-dimethoxyphenyl)cyclopropyl]acetic acid
CID 117415105
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
3-[1-(carboxymethyl)cyclopropyl]-4,5-dimethylbenzoic acid
CID 117373292
2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117379119
2-[1-(3-fluoro-4-hydroxy-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800393
2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117415098

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid (CID 117378973) is 2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid is COc1c(C)c(C2(CC(=O)O)CC2)cc(C)c1O.
What is the InChIKey of 2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid?
The InChIKey is ARYFRDHDYOWMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-8-6-10(9(2)13(18-3)12(8)17)14(4-5-14)7-11(15)16/h6,17H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of 2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid?
2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid has a molecular weight of 250.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117378973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).