2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate

C17H18O4 — CID 66702239

IUPAC2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate
SMILESCC(C(=O)OCCc1ccccc1)c1cc(O)cc(O)c1
InChIInChI=1S/C17H18O4/c1-12(14-9-15(18)11-16(19)10-14)17(20)21-8-7-13-5-3-2-4-6-13/h2-6,9-12,18-19H,7-8H2,1H3
InChIKeyCXIPPUQFJKESNV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.99
Rot. Bonds5

About 2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate

2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate (PubChem CID 66702239) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate.

Molecular Properties

Compound Name2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate
PubChem CID66702239
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate
SMILESCC(C(=O)OCCc1ccccc1)c1cc(O)cc(O)c1
InChIInChI=1S/C17H18O4/c1-12(14-9-15(18)11-16(19)10-14)17(20)21-8-7-13-5-3-2-4-6-13/h2-6,9-12,18-19H,7-8H2,1H3
InChIKeyCXIPPUQFJKESNV-UHFFFAOYSA-N
XLogP2.99
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 69403845
propyl (2R)-2-phenylpropanoate
CID 14926551
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
2-phenylethyl 2,3,3-trimethylbutanoate
CID 118040086
2-bromo-3-oxo-3-(2-phenylethoxy)propanoic acid
CID 88766857
1-phenylethyl 2-methylpropanoate;2-phenylethyl 2-methylpropanoate
CID 174429425
2-phenylethyl acetate
CID 7654
2-phenylethyl 2-(1H-imidazol-5-yl)propanoate
CID 70010888
2-phenylethyl N-propan-2-ylcarbamate
CID 23548887
acetic acid;2-phenylethyl acetate
CID 174791962
2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate
CID 163078675
2-phenylethyl 3-oxo-2-(2-phenylethyl)butanoate
CID 18370832

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate?
The IUPAC name of 2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate (CID 66702239) is 2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate.
What is the SMILES notation for 2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate?
The canonical SMILES for 2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate is CC(C(=O)OCCc1ccccc1)c1cc(O)cc(O)c1.
What is the InChIKey of 2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate?
The InChIKey is CXIPPUQFJKESNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-12(14-9-15(18)11-16(19)10-14)17(20)21-8-7-13-5-3-2-4-6-13/h2-6,9-12,18-19H,7-8H2,1H3.
What are the key properties of 2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate?
2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate has a molecular weight of 286.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate is sourced from PubChem (CID 66702239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).