4-methoxy-1-phenylnaphthalene-2-carbonitrile

C18H13NO — CID 24974972

IUPAC4-methoxy-1-phenylnaphthalene-2-carbonitrile
SMILESCOc1cc(C#N)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H13NO/c1-20-17-11-14(12-19)18(13-7-3-2-4-8-13)16-10-6-5-9-15(16)17/h2-11H,1H3
InChIKeyNXOIKQKXRGGXNM-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.39
Rot. Bonds2

About 4-methoxy-1-phenylnaphthalene-2-carbonitrile

4-methoxy-1-phenylnaphthalene-2-carbonitrile (PubChem CID 24974972) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methoxy-1-phenylnaphthalene-2-carbonitrile.

Molecular Properties

Compound Name4-methoxy-1-phenylnaphthalene-2-carbonitrile
PubChem CID24974972
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name4-methoxy-1-phenylnaphthalene-2-carbonitrile
SMILESCOc1cc(C#N)c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H13NO/c1-20-17-11-14(12-19)18(13-7-3-2-4-8-13)16-10-6-5-9-15(16)17/h2-11H,1H3
InChIKeyNXOIKQKXRGGXNM-UHFFFAOYSA-N
XLogP4.39
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethoxy-2-phenylbenzonitrile
CID 67635985
2,3-dimethoxy-9,10-diphenylphenanthrene
CID 86084534
2-methoxynaphthalene-1,4-dicarbonitrile
CID 169050362
4-bromo-5-methoxy-2-phenylbenzonitrile
CID 175277846
4-methoxy-1-phenylnaphthalene-2-carboxylic acid
CID 12870686
4-iodo-5-methoxy-2-phenylbenzonitrile
CID 175277851
2-methoxy-3-phenylbenzonitrile
CID 91276072
1-methoxy-9,10-diphenylphenanthrene
CID 11439822
6,7-dimethoxynaphthalene-1-carbonitrile
CID 67115291
2,3,4,5-tetramethoxybenzonitrile
CID 71368082
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
5-methoxy-2-phenyl-4-(trifluoromethyl)benzonitrile
CID 175277844

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenylnaphthalene-2-carbonitrile?
The IUPAC name of 4-methoxy-1-phenylnaphthalene-2-carbonitrile (CID 24974972) is 4-methoxy-1-phenylnaphthalene-2-carbonitrile.
What is the SMILES notation for 4-methoxy-1-phenylnaphthalene-2-carbonitrile?
The canonical SMILES for 4-methoxy-1-phenylnaphthalene-2-carbonitrile is COc1cc(C#N)c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 4-methoxy-1-phenylnaphthalene-2-carbonitrile?
The InChIKey is NXOIKQKXRGGXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c1-20-17-11-14(12-19)18(13-7-3-2-4-8-13)16-10-6-5-9-15(16)17/h2-11H,1H3.
What are the key properties of 4-methoxy-1-phenylnaphthalene-2-carbonitrile?
4-methoxy-1-phenylnaphthalene-2-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenylnaphthalene-2-carbonitrile is sourced from PubChem (CID 24974972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).