[2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate

C26H28O3 — CID 174387822

IUPAC[2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate
SMILESCC(C)(c1ccccc1)c1cccc(OC(=O)CO)c1C(C)(C)c1ccccc1
InChIInChI=1S/C26H28O3/c1-25(2,19-12-7-5-8-13-19)21-16-11-17-22(29-23(28)18-27)24(21)26(3,4)20-14-9-6-10-15-20/h5-17,27H,18H2,1-4H3
InChIKeyYWDSQARHMQPTGA-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.24
Rot. Bonds6

About [2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate

[2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate (PubChem CID 174387822) has the molecular formula C26H28O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is [2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate.

Molecular Properties

Compound Name[2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate
PubChem CID174387822
Molecular FormulaC26H28O3
Molecular Weight388.51 g/mol
Exact Mass388.20
IUPAC Name[2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate
SMILESCC(C)(c1ccccc1)c1cccc(OC(=O)CO)c1C(C)(C)c1ccccc1
InChIInChI=1S/C26H28O3/c1-25(2,19-12-7-5-8-13-19)21-16-11-17-22(29-23(28)18-27)24(21)26(3,4)20-14-9-6-10-15-20/h5-17,27H,18H2,1-4H3
InChIKeyYWDSQARHMQPTGA-UHFFFAOYSA-N
XLogP5.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-methyl-2-(2-phenylpropan-2-yl)phenyl] hydrogen carbonate
CID 18407704
(2-hydroxyphenyl) 2-hydroxyacetate
CID 54356800
1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol
CID 174757084
(2-propan-2-yloxyphenyl) 2-hydroxyacetate
CID 159030551
[3-tert-butyl-2-(2-phenylpropan-2-yl)benzoyl] 3-tert-butyl-2-(2-phenylpropan-2-yl)benzenecarboperoxoate
CID 89456061
1-[2,3-bis(2-phenylpropan-2-yl)phenyl]-2-butyl-2-ethylpropane-1,3-diol
CID 174840779
propan-2-yl 2-(2-phenylpropan-2-yl)benzoate
CID 175400116
bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate
CID 66629129
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
hydroxy(oxo)titanium;2,3,4-tris(2-phenylpropan-2-yl)phenol
CID 87252011
ethoxyethane;2-(2-phenylpropan-2-yl)phenol
CID 126484848

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate?
The IUPAC name of [2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate (CID 174387822) is [2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate.
What is the SMILES notation for [2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate?
The canonical SMILES for [2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate is CC(C)(c1ccccc1)c1cccc(OC(=O)CO)c1C(C)(C)c1ccccc1.
What is the InChIKey of [2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate?
The InChIKey is YWDSQARHMQPTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O3/c1-25(2,19-12-7-5-8-13-19)21-16-11-17-22(29-23(28)18-27)24(21)26(3,4)20-14-9-6-10-15-20/h5-17,27H,18H2,1-4H3.
What are the key properties of [2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate?
[2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate has a molecular weight of 388.51 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(2-phenylpropan-2-yl)phenyl] 2-hydroxyacetate is sourced from PubChem (CID 174387822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).