2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one

C19H17FO — CID 4851352

IUPAC2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one
SMILESCc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H17FO/c1-12-9-13(2)17-8-5-15(19(21)18(17)10-12)11-14-3-6-16(20)7-4-14/h3-4,6-7,9-11H,5,8H2,1-2H3
InChIKeyPSGHOFJYYMPELV-UHFFFAOYSA-N
MW280.34 g/mol
LogP4.66
Rot. Bonds1

About 2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one

2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one (PubChem CID 4851352) has the molecular formula C19H17FO and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one
PubChem CID4851352
Molecular FormulaC19H17FO
Molecular Weight280.34 g/mol
Exact Mass280.13
IUPAC Name2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one
SMILESCc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H17FO/c1-12-9-13(2)17-8-5-15(19(21)18(17)10-12)11-14-3-6-16(20)7-4-14/h3-4,6-7,9-11H,5,8H2,1-2H3
InChIKeyPSGHOFJYYMPELV-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-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

CID 6780
CID 6780
CID 6763
CID 6763
CID 7018
CID 7018
CID 89440
CID 89440
CID 6697
CID 6697
CID 7122
CID 7122
CID 160142
CID 160142
CID 6772
CID 6772
CID 6773
CID 6773
CID 6985
CID 6985
CID 11050
CID 11050
CID 13663
CID 13663

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one (CID 4851352) is 2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one is Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(F)cc1)CC2.
What is the InChIKey of 2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one?
The InChIKey is PSGHOFJYYMPELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO/c1-12-9-13(2)17-8-5-15(19(21)18(17)10-12)11-14-3-6-16(20)7-4-14/h3-4,6-7,9-11H,5,8H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one?
2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one has a molecular weight of 280.34 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 4851352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).