benzo[8]annulene

C12H8 — CID 173075501

IUPACbenzo[8]annulene
SMILESC1=C=Cc2ccccc2C=CC=1
InChIInChI=1S/C12H8/c1-2-4-8-12-10-6-5-9-11(12)7-3-1/h1,3,5-10H/b3-1?,7-3?,11-7?,12-8-
InChIKeyUAZJWWJVWJNVTR-RVUJDMGOSA-N
MW152.20 g/mol
LogP3.04
Rot. Bonds

About benzo[8]annulene

benzo[8]annulene (PubChem CID 173075501) has the molecular formula C12H8 and a molecular weight of 152.20 g/mol. Its IUPAC name is benzo[8]annulene.

Molecular Properties

Compound Namebenzo[8]annulene
PubChem CID173075501
Molecular FormulaC12H8
Molecular Weight152.20 g/mol
Exact Mass152.06
IUPAC Namebenzo[8]annulene
SMILESC1=C=Cc2ccccc2C=CC=1
InChIInChI=1S/C12H8/c1-2-4-8-12-10-6-5-9-11(12)7-3-1/h1,3,5-10H/b3-1?,7-3?,11-7?,12-8-
InChIKeyUAZJWWJVWJNVTR-RVUJDMGOSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Naphthalene
CID 931
Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
Tetralin
CID 8404
P-Cymene
CID 7463
Indene
CID 7219

Frequently Asked Questions

What is the IUPAC name of benzo[8]annulene?
The IUPAC name of benzo[8]annulene (CID 173075501) is benzo[8]annulene.
What is the SMILES notation for benzo[8]annulene?
The canonical SMILES for benzo[8]annulene is C1=C=Cc2ccccc2C=CC=1.
What is the InChIKey of benzo[8]annulene?
The InChIKey is UAZJWWJVWJNVTR-RVUJDMGOSA-N. The full InChI is InChI=1S/C12H8/c1-2-4-8-12-10-6-5-9-11(12)7-3-1/h1,3,5-10H/b3-1?,7-3?,11-7?,12-8-.
What are the key properties of benzo[8]annulene?
benzo[8]annulene has a molecular weight of 152.20 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[8]annulene is sourced from PubChem (CID 173075501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).