5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile

C17H10FNO2 — CID 118005885

IUPAC5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(Oc3ccc(F)cc3O)cccc2c1
InChIInChI=1S/C17H10FNO2/c18-13-5-7-17(15(20)9-13)21-16-3-1-2-12-8-11(10-19)4-6-14(12)16/h1-9,20H
InChIKeyBXQRDKWPETUFMJ-UHFFFAOYSA-N
MW279.27 g/mol
LogP4.35
Rot. Bonds2

About 5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile

5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile (PubChem CID 118005885) has the molecular formula C17H10FNO2 and a molecular weight of 279.27 g/mol. Its IUPAC name is 5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile
PubChem CID118005885
Molecular FormulaC17H10FNO2
Molecular Weight279.27 g/mol
Exact Mass279.07
IUPAC Name5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(Oc3ccc(F)cc3O)cccc2c1
InChIInChI=1S/C17H10FNO2/c18-13-5-7-17(15(20)9-13)21-16-3-1-2-12-8-11(10-19)4-6-14(12)16/h1-9,20H
InChIKeyBXQRDKWPETUFMJ-UHFFFAOYSA-N
XLogP4.35
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxynaphthalene-2-carbonitrile
CID 22243517
CID 57464318
CID 57464318
5-(difluoromethoxy)naphthalene-2-carbonitrile
CID 133084193
3-bromo-4-(3-hydroxynaphthalen-2-yl)oxybenzonitrile
CID 82787731
4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile
CID 143183176
3-hydroxy-4-(3-methylphenoxy)benzonitrile
CID 143183163
4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile
CID 54880085
3-bromo-4-(2,4-difluorophenoxy)benzonitrile
CID 82798545
4-amino-3-(2-chloro-4-fluorophenoxy)benzonitrile
CID 104712633
6-cyanonaphthalene-1-carboxylic acid
CID 22622245
6-hydroxy-5-methoxynaphthalene-2-carbonitrile
CID 121009112
2-(2-bromo-4-cyanophenoxy)-5-fluorobenzoic acid
CID 82801775

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile?
The IUPAC name of 5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile (CID 118005885) is 5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile.
What is the SMILES notation for 5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile?
The canonical SMILES for 5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile is N#Cc1ccc2c(Oc3ccc(F)cc3O)cccc2c1.
What is the InChIKey of 5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile?
The InChIKey is BXQRDKWPETUFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO2/c18-13-5-7-17(15(20)9-13)21-16-3-1-2-12-8-11(10-19)4-6-14(12)16/h1-9,20H.
What are the key properties of 5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile?
5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile has a molecular weight of 279.27 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile is sourced from PubChem (CID 118005885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).