2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid

C14H20O3 — CID 117345122

IUPAC2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid
SMILESCC(C)c1ccc(C(C)C)c(C(O)C(=O)O)c1
InChIInChI=1S/C14H20O3/c1-8(2)10-5-6-11(9(3)4)12(7-10)13(15)14(16)17/h5-9,13,15H,1-4H3,(H,16,17)
InChIKeyAMRVFXCHPQHNSA-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.05
Rot. Bonds4

About 2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid

2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid (PubChem CID 117345122) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid
PubChem CID117345122
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid
SMILESCC(C)c1ccc(C(C)C)c(C(O)C(=O)O)c1
InChIInChI=1S/C14H20O3/c1-8(2)10-5-6-11(9(3)4)12(7-10)13(15)14(16)17/h5-9,13,15H,1-4H3,(H,16,17)
InChIKeyAMRVFXCHPQHNSA-UHFFFAOYSA-N
XLogP3.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid
CID 117300056
(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol
CID 125467174
(1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol
CID 125466999
2-(2-methyl-4-propan-2-ylphenyl)propanoic acid
CID 175234713
2-[5-(1-chloro-2-oxopropyl)-2-(difluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134656720
2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 117300317
2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 117310466
2,5-di(propan-2-yl)benzoyl fluoride
CID 45081927
1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one
CID 43160225
1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol
CID 113435253
2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid
CID 117314723
[2,5-di(propan-2-yl)phenyl]-phenylmethanone
CID 165349442

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid (CID 117345122) is 2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid is CC(C)c1ccc(C(C)C)c(C(O)C(=O)O)c1.
What is the InChIKey of 2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid?
The InChIKey is AMRVFXCHPQHNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-8(2)10-5-6-11(9(3)4)12(7-10)13(15)14(16)17/h5-9,13,15H,1-4H3,(H,16,17).
What are the key properties of 2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid?
2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid has a molecular weight of 236.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117345122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).