7-methylbenzo[7]annulene

C12H10 — CID 142045032

IUPAC7-methylbenzo[7]annulene
SMILESCC1=C=Cc2ccccc2C=C1
InChIInChI=1S/C12H10/c1-10-6-8-11-4-2-3-5-12(11)9-7-10/h2-6,8-9H,1H3
InChIKeyCKOLJNXBMRDMGT-UHFFFAOYSA-N
MW154.21 g/mol
LogP3.27
Rot. Bonds

About 7-methylbenzo[7]annulene

7-methylbenzo[7]annulene (PubChem CID 142045032) has the molecular formula C12H10 and a molecular weight of 154.21 g/mol. Its IUPAC name is 7-methylbenzo[7]annulene.

Molecular Properties

Compound Name7-methylbenzo[7]annulene
PubChem CID142045032
Molecular FormulaC12H10
Molecular Weight154.21 g/mol
Exact Mass154.08
IUPAC Name7-methylbenzo[7]annulene
SMILESCC1=C=Cc2ccccc2C=C1
InChIInChI=1S/C12H10/c1-10-6-8-11-4-2-3-5-12(11)9-7-10/h2-6,8-9H,1H3
InChIKeyCKOLJNXBMRDMGT-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

11-methylbenzo[b][1]benzarsepine
CID 177485802
1,5-dimethylcyclohepta-1,2,4,6-tetraene;toluene
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bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene
CID 174841145
benzo[7]annulene;propane
CID 143124773
benzo[8]annulene
CID 173075501
2-[(7Z)-6-methylcycloocta-1,2,4,5,7-pentaen-1-yl]isoindole-1,3-dione
CID 143309594
tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,9,11,13-octaene
CID 123541076
azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron
CID 134900349
CID 175350571
CID 175350571
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 14290121
7H-benzo[7]annulen-7-ol
CID 130126400
benzene;toluene
CID 158487474

Frequently Asked Questions

What is the IUPAC name of 7-methylbenzo[7]annulene?
The IUPAC name of 7-methylbenzo[7]annulene (CID 142045032) is 7-methylbenzo[7]annulene.
What is the SMILES notation for 7-methylbenzo[7]annulene?
The canonical SMILES for 7-methylbenzo[7]annulene is CC1=C=Cc2ccccc2C=C1.
What is the InChIKey of 7-methylbenzo[7]annulene?
The InChIKey is CKOLJNXBMRDMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10/c1-10-6-8-11-4-2-3-5-12(11)9-7-10/h2-6,8-9H,1H3.
What are the key properties of 7-methylbenzo[7]annulene?
7-methylbenzo[7]annulene has a molecular weight of 154.21 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylbenzo[7]annulene is sourced from PubChem (CID 142045032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).