ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate

C17H19NO3 — CID 22496088

IUPACethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate
SMILESCCOC(=O)CC(Cc1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C17H19NO3/c1-2-21-17(20)11-15(14-4-3-9-18-12-14)10-13-5-7-16(19)8-6-13/h3-9,12,15,19H,2,10-11H2,1H3
InChIKeyXEEOFIWOHPOVNB-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.07
Rot. Bonds6

About ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate

ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate (PubChem CID 22496088) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate.

Molecular Properties

Compound Nameethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate
PubChem CID22496088
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate
SMILESCCOC(=O)CC(Cc1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C17H19NO3/c1-2-21-17(20)11-15(14-4-3-9-18-12-14)10-13-5-7-16(19)8-6-13/h3-9,12,15,19H,2,10-11H2,1H3
InChIKeyXEEOFIWOHPOVNB-UHFFFAOYSA-N
XLogP3.07
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid
CID 22496064
ethyl 3-pyridin-3-ylpentanoate
CID 171747994
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
ethyl (3S,5R)-5-(hydroxyamino)-3,5-dipyridin-3-ylpentanoate
CID 124640185
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224
ethyl 3-pyridin-3-yl-4-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]butanoate
CID 91126307
ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate
CID 174421102
ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235826
2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 104905410
ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
CID 81405022
ethyl 3-[(2-aminoacetyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride
CID 70248930
5,5-diethoxy-3-pyridin-3-ylpentanamide
CID 174510625

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate?
The IUPAC name of ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate (CID 22496088) is ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate.
What is the SMILES notation for ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate?
The canonical SMILES for ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate is CCOC(=O)CC(Cc1ccc(O)cc1)c1cccnc1.
What is the InChIKey of ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate?
The InChIKey is XEEOFIWOHPOVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-21-17(20)11-15(14-4-3-9-18-12-14)10-13-5-7-16(19)8-6-13/h3-9,12,15,19H,2,10-11H2,1H3.
What are the key properties of ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate?
ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate has a molecular weight of 285.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate is sourced from PubChem (CID 22496088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).