methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate

C22H20O4 — CID 563862

IUPACmethyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
SMILESCOC(=O)C(O)(c1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20O4/c1-25-21(23)22(24,18-10-6-3-7-11-18)19-12-14-20(15-13-19)26-16-17-8-4-2-5-9-17/h2-15,24H,16H2,1H3
InChIKeyRNHOGAUHXQBLDB-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.67
Rot. Bonds6

About methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate

methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate (PubChem CID 563862) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
PubChem CID563862
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Namemethyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
SMILESCOC(=O)C(O)(c1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20O4/c1-25-21(23)22(24,18-10-6-3-7-11-18)19-12-14-20(15-13-19)26-16-17-8-4-2-5-9-17/h2-15,24H,16H2,1H3
InChIKeyRNHOGAUHXQBLDB-UHFFFAOYSA-N
XLogP3.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetamide
CID 139613624
(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 131871320
methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate
CID 95654466
[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 4269875
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
methyl (3R)-3-amino-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171243427
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
N-methoxy-N,2-dimethyl-2-(4-phenylmethoxyphenyl)propanamide
CID 134113096
methyl (2S)-2-cyclopropyl-2-(methoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 10737815
methyl 2-[4-[4-(1,3-dioxolan-2-yl)butoxy]phenyl]-2-hydroxy-2-phenylacetate
CID 122455577
2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 67301593
4-phenylmethoxybenzoic acid
CID 68896574

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate?
The IUPAC name of methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate (CID 563862) is methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate is COC(=O)C(O)(c1ccccc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate?
The InChIKey is RNHOGAUHXQBLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-25-21(23)22(24,18-10-6-3-7-11-18)19-12-14-20(15-13-19)26-16-17-8-4-2-5-9-17/h2-15,24H,16H2,1H3.
What are the key properties of methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate?
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate has a molecular weight of 348.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate is sourced from PubChem (CID 563862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).