2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile

C15H13NO3 — CID 43334740

IUPAC2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile
SMILESCCOc1ccc(C(C#N)C(=O)c2ccoc2)cc1
InChIInChI=1S/C15H13NO3/c1-2-19-13-5-3-11(4-6-13)14(9-16)15(17)12-7-8-18-10-12/h3-8,10,14H,2H2,1H3
InChIKeyLKCXNWXGGFVJAA-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.17
Rot. Bonds5

About 2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile

2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile (PubChem CID 43334740) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile
PubChem CID43334740
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile
SMILESCCOc1ccc(C(C#N)C(=O)c2ccoc2)cc1
InChIInChI=1S/C15H13NO3/c1-2-19-13-5-3-11(4-6-13)14(9-16)15(17)12-7-8-18-10-12/h3-8,10,14H,2H2,1H3
InChIKeyLKCXNWXGGFVJAA-UHFFFAOYSA-N
XLogP3.17
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43156952
2-(4-bromophenyl)-3-(4-ethoxyphenyl)-3-oxopropanenitrile
CID 43334112
2-cyano-2-(4-ethoxyphenyl)acetic acid
CID 63272630
2-(4-ethoxyphenyl)-3-(1-methylpyrazol-3-yl)-3-oxopropanenitrile
CID 103118513
2-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-3-oxopropanenitrile
CID 107972442
3-(2-bromophenyl)-2-(4-ethoxyphenyl)-3-oxopropanenitrile
CID 43157185
3-(1,3-dimethylpyrazol-4-yl)-2-(4-ethoxyphenyl)-3-oxopropanenitrile
CID 102801620
2-(2-bromophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 62828421
2-(4-ethoxyphenyl)-5,6,6-trimethyl-3-oxoheptanenitrile
CID 63833452
(4-ethoxyphenyl)-(furan-3-yl)methanol
CID 61100737
2-(2,4-difluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 64561063
2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43334414

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
The IUPAC name of 2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile (CID 43334740) is 2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile.
What is the SMILES notation for 2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
The canonical SMILES for 2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile is CCOc1ccc(C(C#N)C(=O)c2ccoc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
The InChIKey is LKCXNWXGGFVJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-2-19-13-5-3-11(4-6-13)14(9-16)15(17)12-7-8-18-10-12/h3-8,10,14H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile has a molecular weight of 255.27 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile is sourced from PubChem (CID 43334740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).