benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate

C24H24O4 — CID 57122421

IUPACbenzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate
SMILESCCOC(c1ccccc1)(c1ccccc1)C(O)C(=O)OCc1ccccc1
InChIInChI=1S/C24H24O4/c1-2-28-24(20-14-8-4-9-15-20,21-16-10-5-11-17-21)22(25)23(26)27-18-19-12-6-3-7-13-19/h3-17,22,25H,2,18H2,1H3
InChIKeyIAUWZPRBDKRKGQ-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.07
Rot. Bonds8

About benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate

benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate (PubChem CID 57122421) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate.

Molecular Properties

Compound Namebenzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate
PubChem CID57122421
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Namebenzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate
SMILESCCOC(c1ccccc1)(c1ccccc1)C(O)C(=O)OCc1ccccc1
InChIInChI=1S/C24H24O4/c1-2-28-24(20-14-8-4-9-15-20,21-16-10-5-11-17-21)22(25)23(26)27-18-19-12-6-3-7-13-19/h3-17,22,25H,2,18H2,1H3
InChIKeyIAUWZPRBDKRKGQ-UHFFFAOYSA-N
XLogP4.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-hydroxy-3,3-dimethylbutanoate
CID 15070303
methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate
CID 18675620
benzyl (2S)-2-hydroxy-3,3-dimethylbutanoate;(2S)-2-hydroxy-3,3-dimethylbutanoic acid
CID 161313250
3,3-dimethyl-2-phenylmethoxycarbonylbutanoic acid
CID 22111780
benzyl (3S)-3-amino-2-hydroxyheptanoate
CID 56995658
3-O-benzyl 1-O-ethyl 2-ethylpropanedioate
CID 57182542
benzyl (3S)-3-hydroxypentanoate
CID 131888436
benzyl 2-amino-2-hydroxyacetate
CID 123342440
benzyl 2,2-diethyl-3-hydroxybutanoate
CID 172821532
benzyl 2-tert-butyl-3,3-dimethylbutanoate
CID 130279218
benzyl 2-amino-3-hydroxypentanoate
CID 68991672
4-O-benzyl 1-O-ethyl (2S)-2-hydroxybutanedioate
CID 102323442

Frequently Asked Questions

What is the IUPAC name of benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate?
The IUPAC name of benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate (CID 57122421) is benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate.
What is the SMILES notation for benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate?
The canonical SMILES for benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate is CCOC(c1ccccc1)(c1ccccc1)C(O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate?
The InChIKey is IAUWZPRBDKRKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-2-28-24(20-14-8-4-9-15-20,21-16-10-5-11-17-21)22(25)23(26)27-18-19-12-6-3-7-13-19/h3-17,22,25H,2,18H2,1H3.
What are the key properties of benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate?
benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate has a molecular weight of 376.45 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate is sourced from PubChem (CID 57122421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).