propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate

C14H20O4 — CID 68679680

IUPACpropan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate
SMILESCCOC(Cc1ccc(O)cc1)C(=O)OC(C)C
InChIInChI=1S/C14H20O4/c1-4-17-13(14(16)18-10(2)3)9-11-5-7-12(15)8-6-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyXRWDRCMXDCLIOS-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.29
Rot. Bonds6

About propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate

propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate (PubChem CID 68679680) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate
PubChem CID68679680
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namepropan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate
SMILESCCOC(Cc1ccc(O)cc1)C(=O)OC(C)C
InChIInChI=1S/C14H20O4/c1-4-17-13(14(16)18-10(2)3)9-11-5-7-12(15)8-6-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyXRWDRCMXDCLIOS-UHFFFAOYSA-N
XLogP2.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (2S)-3-(3,5-dibromo-4-hydroxyphenyl)-2-ethoxypropanoate
CID 11025971
ethyl (2S)-2-ethoxy-3-[4-[2-(4-hydroxyphenyl)ethoxy]phenyl]propanoate
CID 71012940
ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate
CID 11021883
propyl 2-ethoxy-3-(4-methylphenyl)propanoate
CID 142845050
propan-2-yl (2S)-2-(dimethylamino)-3-[4-(4-hydroxyphenoxy)phenyl]propanoate
CID 54214394
ethyl (2R)-3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate
CID 86587076
[3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate
CID 146623345
ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate
CID 18626029
2-ethoxy-3-phenylpropanoic acid
CID 54403311
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
3-(4-chlorophenyl)-2-ethoxypropanoic acid
CID 84726078

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate (CID 68679680) is propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate is CCOC(Cc1ccc(O)cc1)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate?
The InChIKey is XRWDRCMXDCLIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-17-13(14(16)18-10(2)3)9-11-5-7-12(15)8-6-11/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate?
propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate has a molecular weight of 252.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 68679680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).