4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile

C18H13NO2 — CID 43326483

IUPAC4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc3ccc(O)cc3c2)cc1
InChIInChI=1S/C18H13NO2/c19-11-13-1-3-14(4-2-13)12-21-18-8-6-15-5-7-17(20)9-16(15)10-18/h1-10,20H,12H2
InChIKeyLQOQNLJTRSTFBI-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.00
Rot. Bonds3

About 4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile

4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile (PubChem CID 43326483) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile
PubChem CID43326483
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc3ccc(O)cc3c2)cc1
InChIInChI=1S/C18H13NO2/c19-11-13-1-3-14(4-2-13)12-21-18-8-6-15-5-7-17(20)9-16(15)10-18/h1-10,20H,12H2
InChIKeyLQOQNLJTRSTFBI-UHFFFAOYSA-N
XLogP4.00
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
7-[(3,5-dimethylphenyl)methoxy]naphthalen-2-ol
CID 63549894
7-[(3,4-dichlorophenyl)methoxy]naphthalen-2-ol
CID 43326484
4-[[6-[2-(dimethylamino)-1-hydroxypropyl]naphthalen-2-yl]oxymethyl]benzonitrile
CID 11545004
4-[(4-iodophenoxy)methyl]benzonitrile
CID 7694615
4-[[4-(bromomethyl)phenoxy]methyl]benzonitrile
CID 43141537
4-[(2-oxochromen-7-yl)oxymethyl]benzonitrile
CID 2089139
4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile
CID 61398915
4-[(3-methyl-4-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688342
4-[(4-chloro-3-methylphenoxy)methyl]benzonitrile
CID 22688362
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523

Frequently Asked Questions

What is the IUPAC name of 4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile?
The IUPAC name of 4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile (CID 43326483) is 4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile?
The canonical SMILES for 4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile is N#Cc1ccc(COc2ccc3ccc(O)cc3c2)cc1.
What is the InChIKey of 4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile?
The InChIKey is LQOQNLJTRSTFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c19-11-13-1-3-14(4-2-13)12-21-18-8-6-15-5-7-17(20)9-16(15)10-18/h1-10,20H,12H2.
What are the key properties of 4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile?
4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile has a molecular weight of 275.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-hydroxynaphthalen-2-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 43326483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).