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

C18H16O — CID 1234182

IUPAC(2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESCc1ccc(/C=C2\CCc3ccccc3C2=O)cc1
InChIInChI=1S/C18H16O/c1-13-6-8-14(9-7-13)12-16-11-10-15-4-2-3-5-17(15)18(16)19/h2-9,12H,10-11H2,1H3/b16-12+
InChIKeyPVROLXTXTZFNQT-FOWTUZBSSA-N
MW248.32 g/mol
LogP4.21
Rot. Bonds1

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

(2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 1234182) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is (2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
PubChem CID1234182
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name(2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SMILESCc1ccc(/C=C2\CCc3ccccc3C2=O)cc1
InChIInChI=1S/C18H16O/c1-13-6-8-14(9-7-13)12-16-11-10-15-4-2-3-5-17(15)18(16)19/h2-9,12H,10-11H2,1H3/b16-12+
InChIKeyPVROLXTXTZFNQT-FOWTUZBSSA-N
XLogP4.21
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 ≤ 54.21
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 (2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one (CID 1234182) is (2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one is Cc1ccc(/C=C2\CCc3ccccc3C2=O)cc1.
What is the InChIKey of (2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is PVROLXTXTZFNQT-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H16O/c1-13-6-8-14(9-7-13)12-16-11-10-15-4-2-3-5-17(15)18(16)19/h2-9,12H,10-11H2,1H3/b16-12+.
What are the key properties of (2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one?
(2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 248.32 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 1234182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).