(3-hydroxy-5-phenylmethoxyphenyl) propanoate

C16H16O4 — CID 174707426

IUPAC(3-hydroxy-5-phenylmethoxyphenyl) propanoate
SMILESCCC(=O)Oc1cc(O)cc(OCc2ccccc2)c1
InChIInChI=1S/C16H16O4/c1-2-16(18)20-15-9-13(17)8-14(10-15)19-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
InChIKeyGUJFBPVLGZLOAB-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.29
Rot. Bonds5

About (3-hydroxy-5-phenylmethoxyphenyl) propanoate

(3-hydroxy-5-phenylmethoxyphenyl) propanoate (PubChem CID 174707426) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (3-hydroxy-5-phenylmethoxyphenyl) propanoate.

Molecular Properties

Compound Name(3-hydroxy-5-phenylmethoxyphenyl) propanoate
PubChem CID174707426
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(3-hydroxy-5-phenylmethoxyphenyl) propanoate
SMILESCCC(=O)Oc1cc(O)cc(OCc2ccccc2)c1
InChIInChI=1S/C16H16O4/c1-2-16(18)20-15-9-13(17)8-14(10-15)19-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
InChIKeyGUJFBPVLGZLOAB-UHFFFAOYSA-N
XLogP3.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3,4-bis(phenylmethoxy)phenyl] propanoate
CID 154459368
phenyl propanoate
CID 161258381
(3-hydroxy-5-phenylmethoxyphenyl)-phenylmethanone
CID 71119902
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
3,5-bis(phenylmethoxy)benzoate
CID 6986896
[3-phenyl-4-(3-phenylmethoxyphenyl)furan-2-yl] propanoate
CID 174483850
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
benzyl propanoate;hydrochloride
CID 140986165
(3,5-dihydroxyphenyl) 2-[3-[2-(3,5-dihydroxyphenoxy)-2-oxoethyl]phenyl]acetate
CID 67653524
[4-(benzylsulfanylmethyl)phenyl] propanoate
CID 150328097
phenyl propanoate;3-phenylpropanoic acid
CID 157245638
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-5-phenylmethoxyphenyl) propanoate?
The IUPAC name of (3-hydroxy-5-phenylmethoxyphenyl) propanoate (CID 174707426) is (3-hydroxy-5-phenylmethoxyphenyl) propanoate.
What is the SMILES notation for (3-hydroxy-5-phenylmethoxyphenyl) propanoate?
The canonical SMILES for (3-hydroxy-5-phenylmethoxyphenyl) propanoate is CCC(=O)Oc1cc(O)cc(OCc2ccccc2)c1.
What is the InChIKey of (3-hydroxy-5-phenylmethoxyphenyl) propanoate?
The InChIKey is GUJFBPVLGZLOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-2-16(18)20-15-9-13(17)8-14(10-15)19-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3.
What are the key properties of (3-hydroxy-5-phenylmethoxyphenyl) propanoate?
(3-hydroxy-5-phenylmethoxyphenyl) propanoate has a molecular weight of 272.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-5-phenylmethoxyphenyl) propanoate is sourced from PubChem (CID 174707426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).