[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate

C29H24O5 — CID 4269875

IUPAC[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H24O5/c30-27(23-16-18-26(19-17-23)33-20-22-10-4-1-5-11-22)21-34-28(31)29(32,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,32H,20-21H2
InChIKeyNBZDBQGZYHDXTA-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.93
Rot. Bonds9

About [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate

[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 4269875) has the molecular formula C29H24O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID4269875
Molecular FormulaC29H24O5
Molecular Weight452.51 g/mol
Exact Mass452.16
IUPAC Name[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H24O5/c30-27(23-16-18-26(19-17-23)33-20-22-10-4-1-5-11-22)21-34-28(31)29(32,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,32H,20-21H2
InChIKeyNBZDBQGZYHDXTA-UHFFFAOYSA-N
XLogP4.93
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191528
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetamide
CID 139613624
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
4-phenylmethoxybenzoic acid
CID 68896574
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191512
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462
[2-(4-bromophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 18276849
1-O-ethyl 3-O-[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-ethylpropanedioate
CID 174482969
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2429143
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate (CID 4269875) is [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate is O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is NBZDBQGZYHDXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O5/c30-27(23-16-18-26(19-17-23)33-20-22-10-4-1-5-11-22)21-34-28(31)29(32,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,32H,20-21H2.
What are the key properties of [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate?
[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 452.51 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 4269875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).