2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid

C15H20O4 — CID 117415098

IUPAC2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
SMILESCOc1cc(C(C)C)cc(C2(CC(=O)O)CC2)c1O
InChIInChI=1S/C15H20O4/c1-9(2)10-6-11(14(18)12(7-10)19-3)15(4-5-15)8-13(16)17/h6-7,9,18H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyCYVWQYAXMFMOLU-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.03
Rot. Bonds5

About 2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid

2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid (PubChem CID 117415098) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
PubChem CID117415098
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
SMILESCOc1cc(C(C)C)cc(C2(CC(=O)O)CC2)c1O
InChIInChI=1S/C15H20O4/c1-9(2)10-6-11(14(18)12(7-10)19-3)15(4-5-15)8-13(16)17/h6-7,9,18H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyCYVWQYAXMFMOLU-UHFFFAOYSA-N
XLogP3.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117446153
2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol
CID 117444900
2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 84796918
2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446176
2-[1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117394939
2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 117344693
2-[1-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 117378973
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449949
2-[1-(3,6-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446172
2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid
CID 117415115
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-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid (CID 117415098) is 2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid is COc1cc(C(C)C)cc(C2(CC(=O)O)CC2)c1O.
What is the InChIKey of 2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
The InChIKey is CYVWQYAXMFMOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9(2)10-6-11(14(18)12(7-10)19-3)15(4-5-15)8-13(16)17/h6-7,9,18H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 3.03, 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-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117415098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).