3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile

C16H10FNO2 — CID 114724502

IUPAC3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
SMILESN#Cc1cccc(C(O)c2cc3cccc(F)c3o2)c1
InChIInChI=1S/C16H10FNO2/c17-13-6-2-5-12-8-14(20-16(12)13)15(19)11-4-1-3-10(7-11)9-18/h1-8,15,19H
InChIKeyQPMDYOPXZYCEGK-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.53
Rot. Bonds2

About 3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile

3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile (PubChem CID 114724502) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile.

Molecular Properties

Compound Name3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
PubChem CID114724502
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
SMILESN#Cc1cccc(C(O)c2cc3cccc(F)c3o2)c1
InChIInChI=1S/C16H10FNO2/c17-13-6-2-5-12-8-14(20-16(12)13)15(19)11-4-1-3-10(7-11)9-18/h1-8,15,19H
InChIKeyQPMDYOPXZYCEGK-UHFFFAOYSA-N
XLogP3.53
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]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-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
CID 114724496
(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 114723604
(7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol
CID 115836962
1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115836912
1-benzofuran-2-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114723565
(7-fluoro-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanol
CID 115836932
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanol
CID 114723330
3-[hydroxy(phenyl)methyl]benzonitrile
CID 19003636
(7-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]pyridin-6-ylmethanol
CID 114727100
3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile
CID 102158004
3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile
CID 102032186
3-[(2-fluoro-5-methylphenyl)-hydroxymethyl]benzonitrile
CID 113318876

Frequently Asked Questions

What is the IUPAC name of 3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile?
The IUPAC name of 3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile (CID 114724502) is 3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile.
What is the SMILES notation for 3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile?
The canonical SMILES for 3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile is N#Cc1cccc(C(O)c2cc3cccc(F)c3o2)c1.
What is the InChIKey of 3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile?
The InChIKey is QPMDYOPXZYCEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-13-6-2-5-12-8-14(20-16(12)13)15(19)11-4-1-3-10(7-11)9-18/h1-8,15,19H.
What are the key properties of 3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile?
3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile has a molecular weight of 267.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile is sourced from PubChem (CID 114724502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).