1-methoxy-2-methylnaphthalene

C12H12O — CID 10997508

IUPAC1-methoxy-2-methylnaphthalene
SMILESCOc1c(C)ccc2ccccc12
InChIInChI=1S/C12H12O/c1-9-7-8-10-5-3-4-6-11(10)12(9)13-2/h3-8H,1-2H3
InChIKeyGXIFCLBPAVRDAL-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.16
Rot. Bonds1

About 1-methoxy-2-methylnaphthalene

1-methoxy-2-methylnaphthalene (PubChem CID 10997508) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-methoxy-2-methylnaphthalene.

Molecular Properties

Compound Name1-methoxy-2-methylnaphthalene
PubChem CID10997508
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name1-methoxy-2-methylnaphthalene
SMILESCOc1c(C)ccc2ccccc12
InChIInChI=1S/C12H12O/c1-9-7-8-10-5-3-4-6-11(10)12(9)13-2/h3-8H,1-2H3
InChIKeyGXIFCLBPAVRDAL-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylnaphthalene?
The IUPAC name of 1-methoxy-2-methylnaphthalene (CID 10997508) is 1-methoxy-2-methylnaphthalene.
What is the SMILES notation for 1-methoxy-2-methylnaphthalene?
The canonical SMILES for 1-methoxy-2-methylnaphthalene is COc1c(C)ccc2ccccc12.
What is the InChIKey of 1-methoxy-2-methylnaphthalene?
The InChIKey is GXIFCLBPAVRDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-9-7-8-10-5-3-4-6-11(10)12(9)13-2/h3-8H,1-2H3.
What are the key properties of 1-methoxy-2-methylnaphthalene?
1-methoxy-2-methylnaphthalene has a molecular weight of 172.23 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylnaphthalene is sourced from PubChem (CID 10997508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).