1-methoxy-3-methylbenzene

C8H10O — CID 7530

IUPAC1-methoxy-3-methylbenzene
SMILESCOc1cccc(C)c1
InChIInChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
InChIKeyOSIGJGFTADMDOB-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.00
Rot. Bonds1

About 1-methoxy-3-methylbenzene

1-methoxy-3-methylbenzene (PubChem CID 7530) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-methoxy-3-methylbenzene.

Molecular Properties

Compound Name1-methoxy-3-methylbenzene
PubChem CID7530
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name1-methoxy-3-methylbenzene
SMILESCOc1cccc(C)c1
InChIInChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
InChIKeyOSIGJGFTADMDOB-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylbenzene?
The IUPAC name of 1-methoxy-3-methylbenzene (CID 7530) is 1-methoxy-3-methylbenzene.
What is the SMILES notation for 1-methoxy-3-methylbenzene?
The canonical SMILES for 1-methoxy-3-methylbenzene is COc1cccc(C)c1.
What is the InChIKey of 1-methoxy-3-methylbenzene?
The InChIKey is OSIGJGFTADMDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3.
What are the key properties of 1-methoxy-3-methylbenzene?
1-methoxy-3-methylbenzene has a molecular weight of 122.17 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylbenzene is sourced from PubChem (CID 7530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).