propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate

C19H22O4 — CID 54420934

IUPACpropyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate
SMILESCCCOC(=O)CC(O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H22O4/c1-2-12-22-19(21)13-17(20)16-10-6-7-11-18(16)23-14-15-8-4-3-5-9-15/h3-11,17,20H,2,12-14H2,1H3
InChIKeyWASXCMJILDHPHD-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.64
Rot. Bonds8

About propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate

propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate (PubChem CID 54420934) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Namepropyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate
PubChem CID54420934
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Namepropyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate
SMILESCCCOC(=O)CC(O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H22O4/c1-2-12-22-19(21)13-17(20)16-10-6-7-11-18(16)23-14-15-8-4-3-5-9-15/h3-11,17,20H,2,12-14H2,1H3
InChIKeyWASXCMJILDHPHD-UHFFFAOYSA-N
XLogP3.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
4-hydroxy-2-oxo-4-(2-phenylmethoxyphenyl)butanoic acid
CID 46843530
ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171214311
propyl (3S)-3-hydroxy-3-phenylpropanoate
CID 102185519
methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate
CID 171251115
propyl (3R)-3-(2-bromophenyl)-3-hydroxypropanoate
CID 11694906
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
1-O,1-O-dibenzyl 2-O,3-O-dipropyl propane-1,1,2,3-tetracarboxylate
CID 177454870
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324
(4S)-4-phenyl-4-(2-phenylmethoxyphenyl)butan-2-one
CID 59906121

Frequently Asked Questions

What is the IUPAC name of propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate?
The IUPAC name of propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate (CID 54420934) is propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate?
The canonical SMILES for propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate is CCCOC(=O)CC(O)c1ccccc1OCc1ccccc1.
What is the InChIKey of propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate?
The InChIKey is WASXCMJILDHPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-2-12-22-19(21)13-17(20)16-10-6-7-11-18(16)23-14-15-8-4-3-5-9-15/h3-11,17,20H,2,12-14H2,1H3.
What are the key properties of propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate?
propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate has a molecular weight of 314.38 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 54420934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).