2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid

C15H20O4 — CID 117415115

IUPAC2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid
SMILESCOc1cccc(C2(CC(=O)O)CC2)c1OC(C)C
InChIInChI=1S/C15H20O4/c1-10(2)19-14-11(5-4-6-12(14)18-3)15(7-8-15)9-13(16)17/h4-6,10H,7-9H2,1-3H3,(H,16,17)
InChIKeyAOACJXCAKUDUTO-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.99
Rot. Bonds6

About 2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid

2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid (PubChem CID 117415115) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid
PubChem CID117415115
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid
SMILESCOc1cccc(C2(CC(=O)O)CC2)c1OC(C)C
InChIInChI=1S/C15H20O4/c1-10(2)19-14-11(5-4-6-12(14)18-3)15(7-8-15)9-13(16)17/h4-6,10H,7-9H2,1-3H3,(H,16,17)
InChIKeyAOACJXCAKUDUTO-UHFFFAOYSA-N
XLogP2.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid
CID 84789631
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid
CID 117383717
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640
2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446172
2-[1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117453838
3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid
CID 117419971
2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446176
2-[1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449951
2-[1-(2-methoxy-6-methylsulfonylphenyl)cyclopropyl]acetic acid
CID 117457810
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
2-[1-(2,6-dimethoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117379119

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid (CID 117415115) is 2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid is COc1cccc(C2(CC(=O)O)CC2)c1OC(C)C.
What is the InChIKey of 2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid?
The InChIKey is AOACJXCAKUDUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-10(2)19-14-11(5-4-6-12(14)18-3)15(7-8-15)9-13(16)17/h4-6,10H,7-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid?
2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117415115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).