1-(methoxymethyl)naphthalene

C12H12O — CID 22195

IUPAC1-(methoxymethyl)naphthalene
SMILESCOCc1cccc2ccccc12
InChIInChI=1S/C12H12O/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
InChIKeyRRCDOVBQOMYGGJ-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.99
Rot. Bonds2

About 1-(methoxymethyl)naphthalene

1-(methoxymethyl)naphthalene (PubChem CID 22195) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(methoxymethyl)naphthalene.

Molecular Properties

Compound Name1-(methoxymethyl)naphthalene
PubChem CID22195
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name1-(methoxymethyl)naphthalene
SMILESCOCc1cccc2ccccc12
InChIInChI=1S/C12H12O/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
InChIKeyRRCDOVBQOMYGGJ-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)naphthalene?
The IUPAC name of 1-(methoxymethyl)naphthalene (CID 22195) is 1-(methoxymethyl)naphthalene.
What is the SMILES notation for 1-(methoxymethyl)naphthalene?
The canonical SMILES for 1-(methoxymethyl)naphthalene is COCc1cccc2ccccc12.
What is the InChIKey of 1-(methoxymethyl)naphthalene?
The InChIKey is RRCDOVBQOMYGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3.
What are the key properties of 1-(methoxymethyl)naphthalene?
1-(methoxymethyl)naphthalene has a molecular weight of 172.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)naphthalene is sourced from PubChem (CID 22195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).