2-(methoxymethyl)naphthalene

C12H12O — CID 521083

IUPAC2-(methoxymethyl)naphthalene
SMILESCOCc1ccc2ccccc2c1
InChIInChI=1S/C12H12O/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3
InChIKeyBFGPGMDXLDALBO-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.99
Rot. Bonds2

About 2-(methoxymethyl)naphthalene

2-(methoxymethyl)naphthalene (PubChem CID 521083) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(methoxymethyl)naphthalene.

Molecular Properties

Compound Name2-(methoxymethyl)naphthalene
PubChem CID521083
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name2-(methoxymethyl)naphthalene
SMILESCOCc1ccc2ccccc2c1
InChIInChI=1S/C12H12O/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3
InChIKeyBFGPGMDXLDALBO-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 2-(methoxymethyl)naphthalene?
The IUPAC name of 2-(methoxymethyl)naphthalene (CID 521083) is 2-(methoxymethyl)naphthalene.
What is the SMILES notation for 2-(methoxymethyl)naphthalene?
The canonical SMILES for 2-(methoxymethyl)naphthalene is COCc1ccc2ccccc2c1.
What is the InChIKey of 2-(methoxymethyl)naphthalene?
The InChIKey is BFGPGMDXLDALBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3.
What are the key properties of 2-(methoxymethyl)naphthalene?
2-(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 2-(methoxymethyl)naphthalene is sourced from PubChem (CID 521083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).