methyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate

C19H22O5 — CID 19797930

IUPACmethyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate
SMILESCCOC(OCC)(C(=O)OC)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22O5/c1-4-22-19(23-5-2,18(20)21-3)15-11-13-17(14-12-15)24-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3
InChIKeyYULJZPYBDPYWSI-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.88
Rot. Bonds8

About methyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate

methyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate (PubChem CID 19797930) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is methyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate
PubChem CID19797930
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Namemethyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate
SMILESCCOC(OCC)(C(=O)OC)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22O5/c1-4-22-19(23-5-2,18(20)21-3)15-11-13-17(14-12-15)24-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3
InChIKeyYULJZPYBDPYWSI-UHFFFAOYSA-N
XLogP3.88
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (3S)-3-amino-2,2-dimethyl-3-(4-phenoxyphenyl)propanoate;hydrochloride
CID 171249298
4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024
methyl 2,2-difluoro-2-(3-phenoxyphenyl)acetate
CID 149187727
methyl (4-phenoxyphenyl) carbonate
CID 19704468
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide
CID 90599562
2-(4-phenoxyphenyl)-1,2,4-triphenylbutane-1,4-dione
CID 167435267
phenoxybenzene;propane-2,2-diol
CID 174556232
4-phenoxyphenol;propanoic acid
CID 67658817
methyl 2-(4-phenoxyphenyl)butanoate
CID 141066175
calcium;hydride;phenoxybenzene;propanoic acid;dihydrate
CID 173246790
4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 142594961

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate?
The IUPAC name of methyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate (CID 19797930) is methyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate.
What is the SMILES notation for methyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate?
The canonical SMILES for methyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate is CCOC(OCC)(C(=O)OC)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of methyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate?
The InChIKey is YULJZPYBDPYWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-4-22-19(23-5-2,18(20)21-3)15-11-13-17(14-12-15)24-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3.
What are the key properties of methyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate?
methyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate has a molecular weight of 330.38 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-diethoxy-2-(4-phenoxyphenyl)acetate is sourced from PubChem (CID 19797930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).