1,1-bis(phenylmethoxy)ethyl propanoate

C19H22O4 — CID 91309948

IUPAC1,1-bis(phenylmethoxy)ethyl propanoate
SMILESCCC(=O)OC(C)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H22O4/c1-3-18(20)23-19(2,21-14-16-10-6-4-7-11-16)22-15-17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3
InChIKeyDLYZYFJTOXEYAY-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.05
Rot. Bonds8

About 1,1-bis(phenylmethoxy)ethyl propanoate

1,1-bis(phenylmethoxy)ethyl propanoate (PubChem CID 91309948) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1,1-bis(phenylmethoxy)ethyl propanoate.

Molecular Properties

Compound Name1,1-bis(phenylmethoxy)ethyl propanoate
PubChem CID91309948
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name1,1-bis(phenylmethoxy)ethyl propanoate
SMILESCCC(=O)OC(C)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H22O4/c1-3-18(20)23-19(2,21-14-16-10-6-4-7-11-16)22-15-17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3
InChIKeyDLYZYFJTOXEYAY-UHFFFAOYSA-N
XLogP4.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl propanoate;hydrochloride
CID 140986165
2-methyl-2-phenylmethoxybutanoic acid
CID 14683642
(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
CID 14683672
2-bromo-3-methyl-3-phenylmethoxybutanoic acid
CID 129074020
tert-butyl 3,3-diamino-3-phenylmethoxypropanoate
CID 174431834
2-phenylmethoxy-2-propan-2-ylpropanedioic acid
CID 21275279
ethyl 2-hydroxy-2-phenylmethoxypropanoate
CID 18454908
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
(2-phenylacetyl) propanoate
CID 91029268
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
tert-butyl 3-oxo-4-phenylmethoxybutanoate
CID 12035485
benzyl 3,3,4-trimethylpentanoate
CID 162413973

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(phenylmethoxy)ethyl propanoate?
The IUPAC name of 1,1-bis(phenylmethoxy)ethyl propanoate (CID 91309948) is 1,1-bis(phenylmethoxy)ethyl propanoate.
What is the SMILES notation for 1,1-bis(phenylmethoxy)ethyl propanoate?
The canonical SMILES for 1,1-bis(phenylmethoxy)ethyl propanoate is CCC(=O)OC(C)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 1,1-bis(phenylmethoxy)ethyl propanoate?
The InChIKey is DLYZYFJTOXEYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-3-18(20)23-19(2,21-14-16-10-6-4-7-11-16)22-15-17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3.
What are the key properties of 1,1-bis(phenylmethoxy)ethyl propanoate?
1,1-bis(phenylmethoxy)ethyl propanoate has a molecular weight of 314.38 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(phenylmethoxy)ethyl propanoate is sourced from PubChem (CID 91309948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).