4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile

C21H13NO — CID 131985794

IUPAC4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-c2c(O)ccc3ccccc23)c2ccccc12
InChIInChI=1S/C21H13NO/c22-13-15-9-11-19(18-8-4-3-6-16(15)18)21-17-7-2-1-5-14(17)10-12-20(21)23/h1-12,23H
InChIKeyRRSWIOWZQMBXHF-UHFFFAOYSA-N
MW295.34 g/mol
LogP5.24
Rot. Bonds1

About 4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile

4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile (PubChem CID 131985794) has the molecular formula C21H13NO and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile
PubChem CID131985794
Molecular FormulaC21H13NO
Molecular Weight295.34 g/mol
Exact Mass295.10
IUPAC Name4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-c2c(O)ccc3ccccc23)c2ccccc12
InChIInChI=1S/C21H13NO/c22-13-15-9-11-19(18-8-4-3-6-16(15)18)21-17-7-2-1-5-14(17)10-12-20(21)23/h1-12,23H
InChIKeyRRSWIOWZQMBXHF-UHFFFAOYSA-N
XLogP5.24
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.34
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 70289333
4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
CID 142488002
4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]naphthalene-1-carbonitrile
CID 142487986
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile
CID 70854915
2-(2-methylnaphthalen-1-yl)benzonitrile
CID 15858394
3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile
CID 175833968
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
chromium;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;prop-1-ene
CID 10785807
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
1-(4-chloro-2-fluorophenyl)naphthalen-2-ol
CID 146212373
naphthalene-1-carbonitrile;sulfane
CID 175607355

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile?
The IUPAC name of 4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile (CID 131985794) is 4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile.
What is the SMILES notation for 4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile?
The canonical SMILES for 4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile is N#Cc1ccc(-c2c(O)ccc3ccccc23)c2ccccc12.
What is the InChIKey of 4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile?
The InChIKey is RRSWIOWZQMBXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO/c22-13-15-9-11-19(18-8-4-3-6-16(15)18)21-17-7-2-1-5-14(17)10-12-20(21)23/h1-12,23H.
What are the key properties of 4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile?
4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile has a molecular weight of 295.34 g/mol, XLogP of 5.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile is sourced from PubChem (CID 131985794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).