(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate

C22H20O4 — CID 16577341

IUPAC(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
SMILESCOc1ccc(COC(=O)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20O4/c1-25-20-14-12-17(13-15-20)16-26-21(23)22(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,16H2,1H3
InChIKeyTULOMTQOGZHRKR-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.67
Rot. Bonds6

About (4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate

(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate (PubChem CID 16577341) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
PubChem CID16577341
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
SMILESCOc1ccc(COC(=O)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20O4/c1-25-20-14-12-17(13-15-20)16-26-21(23)22(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,16H2,1H3
InChIKeyTULOMTQOGZHRKR-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

bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
CID 19075817
(4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate
CID 66172841
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
(4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate
CID 177256002
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
(4-methoxyphenyl)methyl N-(1-cyano-1-phenylethyl)carbamate
CID 57179451
(4-methoxyphenyl)methyl 2,2-difluoro-2-sulfanylacetate
CID 163433987
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
benzyl 2-amino-2-phenylpropanoate
CID 54322564
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
benzyl (2S)-2-hydroxy-2-phenylbutanoate
CID 155930279

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of (4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate (CID 16577341) is (4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate is COc1ccc(COC(=O)C(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is TULOMTQOGZHRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-25-20-14-12-17(13-15-20)16-26-21(23)22(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,16H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate?
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate 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 (4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 16577341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).