1-(methoxymethyl)-3-methylbenzene

C9H12O — CID 10351751

IUPAC1-(methoxymethyl)-3-methylbenzene
SMILESCOCc1cccc(C)c1
InChIInChI=1S/C9H12O/c1-8-4-3-5-9(6-8)7-10-2/h3-6H,7H2,1-2H3
InChIKeyQVHCCKLBSWVWQB-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.14
Rot. Bonds2

About 1-(methoxymethyl)-3-methylbenzene

1-(methoxymethyl)-3-methylbenzene (PubChem CID 10351751) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 1-(methoxymethyl)-3-methylbenzene.

Molecular Properties

Compound Name1-(methoxymethyl)-3-methylbenzene
PubChem CID10351751
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name1-(methoxymethyl)-3-methylbenzene
SMILESCOCc1cccc(C)c1
InChIInChI=1S/C9H12O/c1-8-4-3-5-9(6-8)7-10-2/h3-6H,7H2,1-2H3
InChIKeyQVHCCKLBSWVWQB-UHFFFAOYSA-N
XLogP2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3-methylbenzene?
The IUPAC name of 1-(methoxymethyl)-3-methylbenzene (CID 10351751) is 1-(methoxymethyl)-3-methylbenzene.
What is the SMILES notation for 1-(methoxymethyl)-3-methylbenzene?
The canonical SMILES for 1-(methoxymethyl)-3-methylbenzene is COCc1cccc(C)c1.
What is the InChIKey of 1-(methoxymethyl)-3-methylbenzene?
The InChIKey is QVHCCKLBSWVWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-8-4-3-5-9(6-8)7-10-2/h3-6H,7H2,1-2H3.
What are the key properties of 1-(methoxymethyl)-3-methylbenzene?
1-(methoxymethyl)-3-methylbenzene has a molecular weight of 136.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3-methylbenzene is sourced from PubChem (CID 10351751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).