(6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one

C19H18O — CID 92525608

IUPAC(6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
SMILESCc1cccc(/C=C2/CCCc3ccccc3C2=O)c1
InChIInChI=1S/C19H18O/c1-14-6-4-7-15(12-14)13-17-10-5-9-16-8-2-3-11-18(16)19(17)20/h2-4,6-8,11-13H,5,9-10H2,1H3/b17-13-
InChIKeyXZPQTNCICNGJBL-LGMDPLHJSA-N
MW262.35 g/mol
LogP4.60
Rot. Bonds1

About (6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one

(6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one (PubChem CID 92525608) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is (6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one.

Molecular Properties

Compound Name(6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
PubChem CID92525608
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name(6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
SMILESCc1cccc(/C=C2/CCCc3ccccc3C2=O)c1
InChIInChI=1S/C19H18O/c1-14-6-4-7-15(12-14)13-17-10-5-9-16-8-2-3-11-18(16)19(17)20/h2-4,6-8,11-13H,5,9-10H2,1H3/b17-13-
InChIKeyXZPQTNCICNGJBL-LGMDPLHJSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 5469394
(6E)-6-[[3-[hydroxy(oxido)amino]phenyl]methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 20832285
(6E)-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 5396603
(3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one
CID 2623286
benzaldehyde;(2E)-2-benzylidene-3,4-dihydronaphthalen-1-one;3,4-dihydro-2H-naphthalen-1-one
CID 158089765
(6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 177442948
(2E)-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 5378199
(2E)-2-[(4-methyl-3-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 8856367
(2E)-2-[(3,5-dibromophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 163907659
(2S)-2-[3-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]propanoic acid
CID 52794130
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
(2E)-2-[(4-methylphenyl)methylidene]-3H-inden-1-one
CID 7064605

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one?
The IUPAC name of (6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one (CID 92525608) is (6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one.
What is the SMILES notation for (6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one?
The canonical SMILES for (6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one is Cc1cccc(/C=C2/CCCc3ccccc3C2=O)c1.
What is the InChIKey of (6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one?
The InChIKey is XZPQTNCICNGJBL-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H18O/c1-14-6-4-7-15(12-14)13-17-10-5-9-16-8-2-3-11-18(16)19(17)20/h2-4,6-8,11-13H,5,9-10H2,1H3/b17-13-.
What are the key properties of (6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one?
(6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one has a molecular weight of 262.35 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one is sourced from PubChem (CID 92525608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).