3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile

C16H12FNO — CID 168908239

IUPAC3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile
SMILESN#Cc1ccc(-c2cc(F)ccc2O)c(C2CC2)c1
InChIInChI=1S/C16H12FNO/c17-12-4-6-16(19)15(8-12)13-5-1-10(9-18)7-14(13)11-2-3-11/h1,4-8,11,19H,2-3H2
InChIKeyNCQXHPQFCMOOME-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.95
Rot. Bonds2

About 3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile

3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile (PubChem CID 168908239) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile.

Molecular Properties

Compound Name3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile
PubChem CID168908239
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile
SMILESN#Cc1ccc(-c2cc(F)ccc2O)c(C2CC2)c1
InChIInChI=1S/C16H12FNO/c17-12-4-6-16(19)15(8-12)13-5-1-10(9-18)7-14(13)11-2-3-11/h1,4-8,11,19H,2-3H2
InChIKeyNCQXHPQFCMOOME-UHFFFAOYSA-N
XLogP3.95
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluorophenol;4-hydroxybenzonitrile
CID 174859454
(2aR,10bS)-10b-hydroxy-2,2a-dihydro-1H-cyclobuta[l]phenanthrene-4,9-dicarbonitrile
CID 132542701
3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile
CID 170995643
(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 131140735
4-hydroxy-3-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134626617
5-cyano-2-cyclobutylbenzoic acid
CID 118469335
3-[5-cyano-2-(3-fluorophenyl)anilino]sulfanyl-4-cyclopropylbenzoic acid
CID 155279894
4-acetyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile
CID 133456756
4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile
CID 143039304
2-(4-cyano-2-cyclopropylphenoxy)acetic acid
CID 118394569
3-fluorobenzonitrile;hydrochloride
CID 140590350
4-chloro-3-(2,4-difluorophenyl)benzonitrile
CID 172914923

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile?
The IUPAC name of 3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile (CID 168908239) is 3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile.
What is the SMILES notation for 3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile?
The canonical SMILES for 3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile is N#Cc1ccc(-c2cc(F)ccc2O)c(C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile?
The InChIKey is NCQXHPQFCMOOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c17-12-4-6-16(19)15(8-12)13-5-1-10(9-18)7-14(13)11-2-3-11/h1,4-8,11,19H,2-3H2.
What are the key properties of 3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile?
3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile has a molecular weight of 253.28 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile is sourced from PubChem (CID 168908239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).