ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate

C20H24O3 — CID 166450114

IUPACethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate
SMILESCCCc1cccc(-c2cc(CCC(=O)OCC)ccc2O)c1
InChIInChI=1S/C20H24O3/c1-3-6-15-7-5-8-17(13-15)18-14-16(9-11-19(18)21)10-12-20(22)23-4-2/h5,7-9,11,13-14,21H,3-4,6,10,12H2,1-2H3
InChIKeyJIYIAUFTJWWJIP-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.51
Rot. Bonds7

About ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate

ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate (PubChem CID 166450114) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate
PubChem CID166450114
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Nameethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate
SMILESCCCc1cccc(-c2cc(CCC(=O)OCC)ccc2O)c1
InChIInChI=1S/C20H24O3/c1-3-6-15-7-5-8-17(13-15)18-14-16(9-11-19(18)21)10-12-20(22)23-4-2/h5,7-9,11,13-14,21H,3-4,6,10,12H2,1-2H3
InChIKeyJIYIAUFTJWWJIP-UHFFFAOYSA-N
XLogP4.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
4-methyl-2-(3-propylphenyl)phenol
CID 116546527
ethyl 4-[3-[5-(4-ethoxy-4-oxobutyl)-2-hydroxyphenyl]-4-hydroxyphenyl]butanoate
CID 54379044
ethyl 3-[3-[5-(3-ethoxy-3-oxopropyl)-2-(2-phenylethoxy)phenyl]-4-hydroxyphenyl]propanoate
CID 54494759
ethyl 2-[3-(2-hydroxyphenyl)phenyl]acetate
CID 23218458
3-[3-(2-hydroxy-5-methylphenyl)phenyl]propanoic acid
CID 68870156
ethyl 5-(3-phenylphenyl)pentanoate
CID 146915917
4-propyl-6-(3-propylphenyl)benzene-1,3-diol
CID 71009376
ethyl 3-(3-propan-2-ylphenyl)propanoate
CID 59134593
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
ethyl 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
CID 86073242
ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate
CID 134632501

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate?
The IUPAC name of ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate (CID 166450114) is ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate is CCCc1cccc(-c2cc(CCC(=O)OCC)ccc2O)c1.
What is the InChIKey of ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate?
The InChIKey is JIYIAUFTJWWJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-3-6-15-7-5-8-17(13-15)18-14-16(9-11-19(18)21)10-12-20(22)23-4-2/h5,7-9,11,13-14,21H,3-4,6,10,12H2,1-2H3.
What are the key properties of ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate?
ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate has a molecular weight of 312.41 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate is sourced from PubChem (CID 166450114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).