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'}

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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).