6-methoxy-2-methyl-9H-benzo[7]annulene

C13H14O — CID 118474873

IUPAC6-methoxy-2-methyl-9H-benzo[7]annulene
SMILESCOC1=Cc2ccc(C)cc2CC=C1
InChIInChI=1S/C13H14O/c1-10-6-7-12-9-13(14-2)5-3-4-11(12)8-10/h3,5-9H,4H2,1-2H3
InChIKeyMOKPNTVAQFDGBQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.09
Rot. Bonds1

About 6-methoxy-2-methyl-9H-benzo[7]annulene

6-methoxy-2-methyl-9H-benzo[7]annulene (PubChem CID 118474873) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-methoxy-2-methyl-9H-benzo[7]annulene.

Molecular Properties

Compound Name6-methoxy-2-methyl-9H-benzo[7]annulene
PubChem CID118474873
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name6-methoxy-2-methyl-9H-benzo[7]annulene
SMILESCOC1=Cc2ccc(C)cc2CC=C1
InChIInChI=1S/C13H14O/c1-10-6-7-12-9-13(14-2)5-3-4-11(12)8-10/h3,5-9H,4H2,1-2H3
InChIKeyMOKPNTVAQFDGBQ-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-9H-benzo[7]annulene?
The IUPAC name of 6-methoxy-2-methyl-9H-benzo[7]annulene (CID 118474873) is 6-methoxy-2-methyl-9H-benzo[7]annulene.
What is the SMILES notation for 6-methoxy-2-methyl-9H-benzo[7]annulene?
The canonical SMILES for 6-methoxy-2-methyl-9H-benzo[7]annulene is COC1=Cc2ccc(C)cc2CC=C1.
What is the InChIKey of 6-methoxy-2-methyl-9H-benzo[7]annulene?
The InChIKey is MOKPNTVAQFDGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-10-6-7-12-9-13(14-2)5-3-4-11(12)8-10/h3,5-9H,4H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-9H-benzo[7]annulene?
6-methoxy-2-methyl-9H-benzo[7]annulene has a molecular weight of 186.25 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-9H-benzo[7]annulene is sourced from PubChem (CID 118474873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).