3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile

C14H13NO — CID 12949506

IUPAC3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile
SMILESCOCc1cc2ccccc2c(C#N)c1C
InChIInChI=1S/C14H13NO/c1-10-12(9-16-2)7-11-5-3-4-6-13(11)14(10)8-15/h3-7H,9H2,1-2H3
InChIKeyBFYGYYBOIZCNTH-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.17
Rot. Bonds2

About 3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile

3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile (PubChem CID 12949506) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile.

Molecular Properties

Compound Name3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile
PubChem CID12949506
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile
SMILESCOCc1cc2ccccc2c(C#N)c1C
InChIInChI=1S/C14H13NO/c1-10-12(9-16-2)7-11-5-3-4-6-13(11)14(10)8-15/h3-7H,9H2,1-2H3
InChIKeyBFYGYYBOIZCNTH-UHFFFAOYSA-N
XLogP3.17
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile?
The IUPAC name of 3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile (CID 12949506) is 3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile.
What is the SMILES notation for 3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile?
The canonical SMILES for 3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile is COCc1cc2ccccc2c(C#N)c1C.
What is the InChIKey of 3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile?
The InChIKey is BFYGYYBOIZCNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-12(9-16-2)7-11-5-3-4-6-13(11)14(10)8-15/h3-7H,9H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile?
3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile has a molecular weight of 211.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile is sourced from PubChem (CID 12949506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).