6-methoxy-6-methylbenzo[7]annulene

C13H14O — CID 143726381

IUPAC6-methoxy-6-methylbenzo[7]annulene
SMILESCOC1(C)C=CC=c2ccccc2=C1
InChIInChI=1S/C13H14O/c1-13(14-2)9-5-8-11-6-3-4-7-12(11)10-13/h3-10H,1-2H3
InChIKeyUQRMSJFXRAFFHK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.22
Rot. Bonds1

About 6-methoxy-6-methylbenzo[7]annulene

6-methoxy-6-methylbenzo[7]annulene (PubChem CID 143726381) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-methoxy-6-methylbenzo[7]annulene.

Molecular Properties

Compound Name6-methoxy-6-methylbenzo[7]annulene
PubChem CID143726381
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name6-methoxy-6-methylbenzo[7]annulene
SMILESCOC1(C)C=CC=c2ccccc2=C1
InChIInChI=1S/C13H14O/c1-13(14-2)9-5-8-11-6-3-4-7-12(11)10-13/h3-10H,1-2H3
InChIKeyUQRMSJFXRAFFHK-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(6-methylbenzo[7]annulen-6-yl)-1-(4-sulfanylphenyl)ethyl]benzenethiol
CID 139340673
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CID 143307549
5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene
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3-methylisothiochromen-3-amine
CID 143769334
1,6-dimethoxy-5-phenylcyclohexa-2,4-dien-1-amine
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CID 140580358
2-benzothiepine
CID 23288949
4-methoxy-4-methylcyclohexa-2,5-dien-1-one
CID 687255
4-(5-amino-5-methoxycyclohexa-1,3-dien-1-yl)-2-methoxyaniline
CID 18987559
7-methyl-1H-cyclohepta[b]pyrrole-7-thiol
CID 144790122
5-methylcyclohepta[b]thiophen-5-amine
CID 143260204
9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaene
CID 56621641

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-methylbenzo[7]annulene?
The IUPAC name of 6-methoxy-6-methylbenzo[7]annulene (CID 143726381) is 6-methoxy-6-methylbenzo[7]annulene.
What is the SMILES notation for 6-methoxy-6-methylbenzo[7]annulene?
The canonical SMILES for 6-methoxy-6-methylbenzo[7]annulene is COC1(C)C=CC=c2ccccc2=C1.
What is the InChIKey of 6-methoxy-6-methylbenzo[7]annulene?
The InChIKey is UQRMSJFXRAFFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-13(14-2)9-5-8-11-6-3-4-7-12(11)10-13/h3-10H,1-2H3.
What are the key properties of 6-methoxy-6-methylbenzo[7]annulene?
6-methoxy-6-methylbenzo[7]annulene has a molecular weight of 186.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methylbenzo[7]annulene is sourced from PubChem (CID 143726381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).