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

C14H18O3 — CID 84796918

IUPAC2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
SMILESCC(C)c1ccc(O)c(C2(CC(=O)O)CC2)c1
InChIInChI=1S/C14H18O3/c1-9(2)10-3-4-12(15)11(7-10)14(5-6-14)8-13(16)17/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyYHBZTWVNZAESTA-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.02
Rot. Bonds4

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

2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid (PubChem CID 84796918) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
PubChem CID84796918
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
SMILESCC(C)c1ccc(O)c(C2(CC(=O)O)CC2)c1
InChIInChI=1S/C14H18O3/c1-9(2)10-3-4-12(15)11(7-10)14(5-6-14)8-13(16)17/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyYHBZTWVNZAESTA-UHFFFAOYSA-N
XLogP3.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117373942
2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117415098
2-[1-[5-(dimethylamino)-2-hydroxyphenyl]cyclopropyl]acetic acid
CID 117342168
2-[1-(5-ethyl-2,4-dihydroxyphenyl)cyclopropyl]acetic acid
CID 84798070
2-[1-(2-bromo-5-hydroxyphenyl)cyclopropyl]acetic acid
CID 84809237
2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 117344693
2-[1-(3-fluoro-4-hydroxy-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800393
2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446176
2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid
CID 117371219
2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
2-(1-methyl-3-oxo-5-propan-2-yl-2H-inden-1-yl)acetic acid
CID 82159460
4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid
CID 83890595

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid (CID 84796918) is 2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid is CC(C)c1ccc(O)c(C2(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
The InChIKey is YHBZTWVNZAESTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9(2)10-3-4-12(15)11(7-10)14(5-6-14)8-13(16)17/h3-4,7,9,15H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid?
2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid has a molecular weight of 234.30 g/mol, XLogP of 3.02, 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-5-propan-2-ylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 84796918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).