7-methyl-8,9-dihydrobenzo[7]annulen-5-one

C12H12O — CID 25023067

IUPAC7-methyl-8,9-dihydrobenzo[7]annulen-5-one
SMILESCC1=CC(=O)c2ccccc2CC1
InChIInChI=1S/C12H12O/c1-9-6-7-10-4-2-3-5-11(10)12(13)8-9/h2-5,8H,6-7H2,1H3
InChIKeyJTLFBUDEJBHHHS-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.76
Rot. Bonds

About 7-methyl-8,9-dihydrobenzo[7]annulen-5-one

7-methyl-8,9-dihydrobenzo[7]annulen-5-one (PubChem CID 25023067) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 7-methyl-8,9-dihydrobenzo[7]annulen-5-one.

Molecular Properties

Compound Name7-methyl-8,9-dihydrobenzo[7]annulen-5-one
PubChem CID25023067
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name7-methyl-8,9-dihydrobenzo[7]annulen-5-one
SMILESCC1=CC(=O)c2ccccc2CC1
InChIInChI=1S/C12H12O/c1-9-6-7-10-4-2-3-5-11(10)12(13)8-9/h2-5,8H,6-7H2,1H3
InChIKeyJTLFBUDEJBHHHS-UHFFFAOYSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-8,9-dihydrobenzo[7]annulen-5-one?
The IUPAC name of 7-methyl-8,9-dihydrobenzo[7]annulen-5-one (CID 25023067) is 7-methyl-8,9-dihydrobenzo[7]annulen-5-one.
What is the SMILES notation for 7-methyl-8,9-dihydrobenzo[7]annulen-5-one?
The canonical SMILES for 7-methyl-8,9-dihydrobenzo[7]annulen-5-one is CC1=CC(=O)c2ccccc2CC1.
What is the InChIKey of 7-methyl-8,9-dihydrobenzo[7]annulen-5-one?
The InChIKey is JTLFBUDEJBHHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-9-6-7-10-4-2-3-5-11(10)12(13)8-9/h2-5,8H,6-7H2,1H3.
What are the key properties of 7-methyl-8,9-dihydrobenzo[7]annulen-5-one?
7-methyl-8,9-dihydrobenzo[7]annulen-5-one has a molecular weight of 172.23 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8,9-dihydrobenzo[7]annulen-5-one is sourced from PubChem (CID 25023067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).