2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid

C11H14O4 — CID 117300056

IUPAC2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid
SMILESCC(C)c1ccc(O)c(C(O)C(=O)O)c1
InChIInChI=1S/C11H14O4/c1-6(2)7-3-4-9(12)8(5-7)10(13)11(14)15/h3-6,10,12-13H,1-2H3,(H,14,15)
InChIKeyPFFMUNJJSKOEFO-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.63
Rot. Bonds3

About 2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid

2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid (PubChem CID 117300056) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid
PubChem CID117300056
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid
SMILESCC(C)c1ccc(O)c(C(O)C(=O)O)c1
InChIInChI=1S/C11H14O4/c1-6(2)7-3-4-9(12)8(5-7)10(13)11(14)15/h3-6,10,12-13H,1-2H3,(H,14,15)
InChIKeyPFFMUNJJSKOEFO-UHFFFAOYSA-N
XLogP1.63
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid
CID 117345122
2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
CID 178165672
2,4-di(propan-2-yl)phenol
CID 18048
2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 117310466
4-(1-hydroxyethyl)-2-propan-2-ylphenol
CID 82265836
2-hydroxy-2-[2-hydroxy-5-(trifluoromethyl)phenyl]acetic acid
CID 117344139
2,4-di(propan-2-yl)phenol;methane;bis(1-methyl-2,4-di(propan-2-yl)benzene)
CID 162090917
CID 70117604
CID 70117604
2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol
CID 23156082
2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid
CID 84682427
2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 117300317

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid (CID 117300056) is 2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid is CC(C)c1ccc(O)c(C(O)C(=O)O)c1.
What is the InChIKey of 2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid?
The InChIKey is PFFMUNJJSKOEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-6(2)7-3-4-9(12)8(5-7)10(13)11(14)15/h3-6,10,12-13H,1-2H3,(H,14,15).
What are the key properties of 2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid?
2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid is sourced from PubChem (CID 117300056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).