4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile

C15H14ClNO3 — CID 22715091

IUPAC4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile
SMILESN#Cc1ccc(Cl)cc1OC(CCCO)c1ccoc1
InChIInChI=1S/C15H14ClNO3/c16-13-4-3-11(9-17)15(8-13)20-14(2-1-6-18)12-5-7-19-10-12/h3-5,7-8,10,14,18H,1-2,6H2
InChIKeyLEWHNTZNVNZPIH-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.70
Rot. Bonds6

About 4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile

4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile (PubChem CID 22715091) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile
PubChem CID22715091
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile
SMILESN#Cc1ccc(Cl)cc1OC(CCCO)c1ccoc1
InChIInChI=1S/C15H14ClNO3/c16-13-4-3-11(9-17)15(8-13)20-14(2-1-6-18)12-5-7-19-10-12/h3-5,7-8,10,14,18H,1-2,6H2
InChIKeyLEWHNTZNVNZPIH-UHFFFAOYSA-N
XLogP3.70
TPSA66.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[1-(furan-3-yl)-4-(methylamino)butoxy]benzonitrile;oxalic acid
CID 22715166
2-[(1R)-3-azido-1-phenylpropoxy]-4-chlorobenzonitrile
CID 90780998
4-chloro-2-(4-iodo-1-pyridin-2-ylbutoxy)benzonitrile
CID 22715185
2-(5-chloro-2-cyanophenoxy)hexanoic acid
CID 113373499
ethyl 2-(5-chloro-2-cyanophenoxy)pentanoate
CID 83037721
4-chloro-2-[4-(ethylamino)-1-pyridin-2-ylbutoxy]benzonitrile
CID 10131541
4-chloro-2-(chloromethoxy)benzonitrile
CID 130564109
4-chloro-2-[1-(2-methylpyrazolo[3,4-b]pyridin-6-yl)butoxy]benzonitrile
CID 170225602
2-[3-amino-1-(1H-pyrazolo[5,4-b]pyridin-6-yl)propoxy]-4-chlorobenzonitrile
CID 170226666
4-chloro-2-ethoxybenzonitrile
CID 22721189
2-[3-amino-1-(3-methylimidazo[4,5-b]pyridin-5-yl)propoxy]-4-chlorobenzonitrile
CID 170226697
2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide
CID 114322693

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile?
The IUPAC name of 4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile (CID 22715091) is 4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile.
What is the SMILES notation for 4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile?
The canonical SMILES for 4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile is N#Cc1ccc(Cl)cc1OC(CCCO)c1ccoc1.
What is the InChIKey of 4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile?
The InChIKey is LEWHNTZNVNZPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-13-4-3-11(9-17)15(8-13)20-14(2-1-6-18)12-5-7-19-10-12/h3-5,7-8,10,14,18H,1-2,6H2.
What are the key properties of 4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile?
4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile has a molecular weight of 291.73 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(furan-3-yl)-4-hydroxybutoxy]benzonitrile is sourced from PubChem (CID 22715091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).