2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile

C18H13NO — CID 10801253

IUPAC2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile
SMILESN#Cc1c(O)cccc1Cc1cccc2ccccc12
InChIInChI=1S/C18H13NO/c19-12-17-15(8-4-10-18(17)20)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-10,20H,11H2
InChIKeyYAYBWQLNFUUTOW-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.01
Rot. Bonds2

About 2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile

2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile (PubChem CID 10801253) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile.

Molecular Properties

Compound Name2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile
PubChem CID10801253
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile
SMILESN#Cc1c(O)cccc1Cc1cccc2ccccc12
InChIInChI=1S/C18H13NO/c19-12-17-15(8-4-10-18(17)20)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-10,20H,11H2
InChIKeyYAYBWQLNFUUTOW-UHFFFAOYSA-N
XLogP4.01
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dihydroxy-2-(naphthalen-1-ylmethyl)benzene-1,3-dicarbonitrile
CID 90031847
CID 66760372
CID 66760372
2-(naphthalen-1-ylmethyl)naphthalen-1-ol
CID 15617878
2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile
CID 15422657
2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile
CID 167304274
naphthalen-1-ol;zinc;hydrate
CID 175263139
5-(naphthalen-1-ylmethyl)benzene-1,3-diol
CID 10658318
naphthalen-1-ylmethyl thiocyanate
CID 10943491
5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 153324996
(Z)-2,3-bis(naphthalen-1-ylmethylsulfanyl)but-2-enedinitrile
CID 131858418
CID 57419547
CID 57419547
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile?
The IUPAC name of 2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile (CID 10801253) is 2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile.
What is the SMILES notation for 2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile?
The canonical SMILES for 2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile is N#Cc1c(O)cccc1Cc1cccc2ccccc12.
What is the InChIKey of 2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile?
The InChIKey is YAYBWQLNFUUTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c19-12-17-15(8-4-10-18(17)20)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-10,20H,11H2.
What are the key properties of 2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile?
2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile has a molecular weight of 259.31 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile is sourced from PubChem (CID 10801253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).