2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid

C12H16O4 — CID 84725487

IUPAC2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid
SMILESCC(C)OC(C)(C(=O)O)c1ccccc1O
InChIInChI=1S/C12H16O4/c1-8(2)16-12(3,11(14)15)9-6-4-5-7-10(9)13/h4-8,13H,1-3H3,(H,14,15)
InChIKeyVNCUSMRZUJWFAU-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.12
Rot. Bonds4

About 2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid

2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid (PubChem CID 84725487) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid
PubChem CID84725487
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid
SMILESCC(C)OC(C)(C(=O)O)c1ccccc1O
InChIInChI=1S/C12H16O4/c1-8(2)16-12(3,11(14)15)9-6-4-5-7-10(9)13/h4-8,13H,1-3H3,(H,14,15)
InChIKeyVNCUSMRZUJWFAU-UHFFFAOYSA-N
XLogP2.12
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 114990548
2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid
CID 82238702
2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid
CID 114992341
3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 105487577
2-(2-hydroxyphenyl)-2-methylbutanoic acid
CID 83830636
2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid
CID 105493906
2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one
CID 141323363
2-(2,4-dimethylpentan-2-yl)phenol
CID 130033445
2-(2-hydroxyphenyl)-2-methylpropanal
CID 88788107
2-tert-butylphenol;N-methylmethanamine
CID 161387965
2-methyl-N-phenyl-2-propan-2-yloxypropanamide
CID 177401592
carbonic acid;2-(2-methylhexan-2-yl)phenol
CID 88685515

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid?
The IUPAC name of 2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid (CID 84725487) is 2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid.
What is the SMILES notation for 2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid?
The canonical SMILES for 2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid is CC(C)OC(C)(C(=O)O)c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid?
The InChIKey is VNCUSMRZUJWFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8(2)16-12(3,11(14)15)9-6-4-5-7-10(9)13/h4-8,13H,1-3H3,(H,14,15).
What are the key properties of 2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid?
2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid is sourced from PubChem (CID 84725487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).