(1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one

C18H16O — CID 10879469

IUPAC(1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one
SMILESCc1ccc(/C=C2/C(=O)CCc3ccccc32)cc1
InChIInChI=1S/C18H16O/c1-13-6-8-14(9-7-13)12-17-16-5-3-2-4-15(16)10-11-18(17)19/h2-9,12H,10-11H2,1H3/b17-12+
InChIKeyCSJXIOFXGONVNX-SFQUDFHCSA-N
MW248.32 g/mol
LogP4.05
Rot. Bonds1

About (1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one

(1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one (PubChem CID 10879469) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is (1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Name(1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one
PubChem CID10879469
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name(1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one
SMILESCc1ccc(/C=C2/C(=O)CCc3ccccc32)cc1
InChIInChI=1S/C18H16O/c1-13-6-8-14(9-7-13)12-17-16-5-3-2-4-15(16)10-11-18(17)19/h2-9,12H,10-11H2,1H3/b17-12+
InChIKeyCSJXIOFXGONVNX-SFQUDFHCSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-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

2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 101437430
ethane;1-propylidene-3,4-dihydronaphthalen-2-one
CID 91507924
2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59770212
N-[4-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide
CID 59770362
(2E)-2-[(4-methylphenyl)methylidene]-3H-inden-1-one
CID 7064605
2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59770279
2-[(2-methylphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59769953
N-[3-[(Z)-(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenyl]methanesulfonamide
CID 59770305
(2E)-2-benzylidene-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene
CID 59770262
(1E)-N-methoxy-1-[(4-methylsulfonylphenyl)methylidene]-3,4-dihydronaphthalen-2-imine
CID 87949019
(2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 5468147
ethane;2-methyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 91190227

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one?
The IUPAC name of (1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one (CID 10879469) is (1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for (1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one?
The canonical SMILES for (1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one is Cc1ccc(/C=C2/C(=O)CCc3ccccc32)cc1.
What is the InChIKey of (1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one?
The InChIKey is CSJXIOFXGONVNX-SFQUDFHCSA-N. The full InChI is InChI=1S/C18H16O/c1-13-6-8-14(9-7-13)12-17-16-5-3-2-4-15(16)10-11-18(17)19/h2-9,12H,10-11H2,1H3/b17-12+.
What are the key properties of (1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one?
(1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one has a molecular weight of 248.32 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 10879469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).