2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid

C16H22O4 — CID 117446172

IUPAC2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid
SMILESCOc1ccc(OC)c(C2(CC(=O)O)CC2)c1C(C)C
InChIInChI=1S/C16H22O4/c1-10(2)14-11(19-3)5-6-12(20-4)15(14)16(7-8-16)9-13(17)18/h5-6,10H,7-9H2,1-4H3,(H,17,18)
InChIKeyORKOYQLETILLJI-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.33
Rot. Bonds6

About 2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid

2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid (PubChem CID 117446172) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid
PubChem CID117446172
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid
SMILESCOc1ccc(OC)c(C2(CC(=O)O)CC2)c1C(C)C
InChIInChI=1S/C16H22O4/c1-10(2)14-11(19-3)5-6-12(20-4)15(14)16(7-8-16)9-13(17)18/h5-6,10H,7-9H2,1-4H3,(H,17,18)
InChIKeyORKOYQLETILLJI-UHFFFAOYSA-N
XLogP3.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117379119
2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446176
2-[1-(2-methoxy-6-methylsulfonylphenyl)cyclopropyl]acetic acid
CID 117457810
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-[2,3-dimethoxy-6-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449947
2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid
CID 117415115
2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
CID 117410634
2-[1-(4-methoxy-3-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117384277
2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid
CID 84789631
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid
CID 117383717
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-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid (CID 117446172) is 2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid is COc1ccc(OC)c(C2(CC(=O)O)CC2)c1C(C)C.
What is the InChIKey of 2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid?
The InChIKey is ORKOYQLETILLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-10(2)14-11(19-3)5-6-12(20-4)15(14)16(7-8-16)9-13(17)18/h5-6,10H,7-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid?
2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117446172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).