(2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate

C24H32O3 — CID 25271023

IUPAC(2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate
SMILESCC(C)c1cc(C(C)C)c(C(=O)OCC(O)c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C24H32O3/c1-15(2)19-12-20(16(3)4)23(21(13-19)17(5)6)24(26)27-14-22(25)18-10-8-7-9-11-18/h7-13,15-17,22,25H,14H2,1-6H3
InChIKeyHDJKVLYQRWBHRD-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.95
Rot. Bonds7

About (2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate

(2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate (PubChem CID 25271023) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is (2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate.

Molecular Properties

Compound Name(2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate
PubChem CID25271023
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name(2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate
SMILESCC(C)c1cc(C(C)C)c(C(=O)OCC(O)c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C24H32O3/c1-15(2)19-12-20(16(3)4)23(21(13-19)17(5)6)24(26)27-14-22(25)18-10-8-7-9-11-18/h7-13,15-17,22,25H,14H2,1-6H3
InChIKeyHDJKVLYQRWBHRD-UHFFFAOYSA-N
XLogP5.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-deuterio-2-phenylethyl] 2,4,6-tri(propan-2-yl)benzoate
CID 25266136
[(2R)-2-hydroxy-2-phenylethyl] propanoate
CID 10442612
S-(3-hydroxy-3-phenylprop-1-en-2-yl) 2,4,6-tri(propan-2-yl)benzenecarbothioate
CID 12820140
2-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]-1-phenylethanol
CID 102947238
2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol
CID 60878238
[(4E)-4-benzylidene-2-(hydroxymethyl)-5-oxooxolan-2-yl]methyl 2,4,6-tri(propan-2-yl)benzoate
CID 25053718
benzene;2-methoxy-1-phenylethanol
CID 174622919
1-phenyl-2-(1-phenylethoxy)ethanol
CID 57324442
[(2R)-2-phenylpropyl] benzoate
CID 101021839
1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone
CID 13297027
(2-hydroxy-2-phenylethyl) hypochlorite;scandium
CID 155773445
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol
CID 107718100

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate?
The IUPAC name of (2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate (CID 25271023) is (2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate.
What is the SMILES notation for (2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate?
The canonical SMILES for (2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate is CC(C)c1cc(C(C)C)c(C(=O)OCC(O)c2ccccc2)c(C(C)C)c1.
What is the InChIKey of (2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate?
The InChIKey is HDJKVLYQRWBHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3/c1-15(2)19-12-20(16(3)4)23(21(13-19)17(5)6)24(26)27-14-22(25)18-10-8-7-9-11-18/h7-13,15-17,22,25H,14H2,1-6H3.
What are the key properties of (2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate?
(2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate has a molecular weight of 368.52 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phenylethyl) 2,4,6-tri(propan-2-yl)benzoate is sourced from PubChem (CID 25271023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).