1-(methoxymethylidene)-2H-naphthalene

C12H12O — CID 66891082

IUPAC1-(methoxymethylidene)-2H-naphthalene
SMILESCOC=C1CC=Cc2ccccc21
InChIInChI=1S/C12H12O/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-6,8-9H,7H2,1H3
InChIKeyHPNQETZKNMMGOH-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.09
Rot. Bonds1

About 1-(methoxymethylidene)-2H-naphthalene

1-(methoxymethylidene)-2H-naphthalene (PubChem CID 66891082) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(methoxymethylidene)-2H-naphthalene.

Molecular Properties

Compound Name1-(methoxymethylidene)-2H-naphthalene
PubChem CID66891082
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name1-(methoxymethylidene)-2H-naphthalene
SMILESCOC=C1CC=Cc2ccccc21
InChIInChI=1S/C12H12O/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-6,8-9H,7H2,1H3
InChIKeyHPNQETZKNMMGOH-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethylidene)-2H-naphthalene?
The IUPAC name of 1-(methoxymethylidene)-2H-naphthalene (CID 66891082) is 1-(methoxymethylidene)-2H-naphthalene.
What is the SMILES notation for 1-(methoxymethylidene)-2H-naphthalene?
The canonical SMILES for 1-(methoxymethylidene)-2H-naphthalene is COC=C1CC=Cc2ccccc21.
What is the InChIKey of 1-(methoxymethylidene)-2H-naphthalene?
The InChIKey is HPNQETZKNMMGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-(methoxymethylidene)-2H-naphthalene?
1-(methoxymethylidene)-2H-naphthalene has a molecular weight of 172.23 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethylidene)-2H-naphthalene is sourced from PubChem (CID 66891082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).