2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid

C15H20O3 — CID 117373942

IUPAC2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid
SMILESCc1cc(O)c(C2(CC(=O)O)CC2)cc1C(C)C
InChIInChI=1S/C15H20O3/c1-9(2)11-7-12(13(16)6-10(11)3)15(4-5-15)8-14(17)18/h6-7,9,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyQIDQWFROEWHSRZ-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.33
Rot. Bonds4

About 2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid

2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid (PubChem CID 117373942) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid
PubChem CID117373942
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid
SMILESCc1cc(O)c(C2(CC(=O)O)CC2)cc1C(C)C
InChIInChI=1S/C15H20O3/c1-9(2)11-7-12(13(16)6-10(11)3)15(4-5-15)8-14(17)18/h6-7,9,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyQIDQWFROEWHSRZ-UHFFFAOYSA-N
XLogP3.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid (CID 117373942) is 2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid is Cc1cc(O)c(C2(CC(=O)O)CC2)cc1C(C)C.
What is the InChIKey of 2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
The InChIKey is QIDQWFROEWHSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-9(2)11-7-12(13(16)6-10(11)3)15(4-5-15)8-14(17)18/h6-7,9,16H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid has a molecular weight of 248.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117373942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).