(2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one

C22H18O2 — CID 134848209

IUPAC(2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CC/C(=C\c1cccc3ccccc13)C2=O
InChIInChI=1S/C22H18O2/c1-24-19-11-12-21-17(14-19)9-10-18(22(21)23)13-16-7-4-6-15-5-2-3-8-20(15)16/h2-8,11-14H,9-10H2,1H3/b18-13+
InChIKeyVZNUVHJTOFQWME-QGOAFFKASA-N
MW314.38 g/mol
LogP5.06
Rot. Bonds2

About (2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one

(2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one (PubChem CID 134848209) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one
PubChem CID134848209
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CC/C(=C\c1cccc3ccccc13)C2=O
InChIInChI=1S/C22H18O2/c1-24-19-11-12-21-17(14-19)9-10-18(22(21)23)13-16-7-4-6-15-5-2-3-8-20(15)16/h2-8,11-14H,9-10H2,1H3/b18-13+
InChIKeyVZNUVHJTOFQWME-QGOAFFKASA-N
XLogP5.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(2-ethylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 46945072
3-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]-1H-pyridin-2-one
CID 139088081
2-[(2-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 165342146
(2E)-2-[(2-bromo-3-pyridinyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 139088080
(2E)-2-[(2-chloro-4-methylphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 58465465
(2Z)-2-[(5-bromo-2-fluorophenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 6219066
CID 11210966
CID 11210966
(2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
CID 5378595
(2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 6066357
(2Z)-2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 9447285
(2E)-6-methoxy-2-[(3-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 2054595
6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione
CID 91943336

Frequently Asked Questions

What is the IUPAC name of (2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one (CID 134848209) is (2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one is COc1ccc2c(c1)CC/C(=C\c1cccc3ccccc13)C2=O.
What is the InChIKey of (2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The InChIKey is VZNUVHJTOFQWME-QGOAFFKASA-N. The full InChI is InChI=1S/C22H18O2/c1-24-19-11-12-21-17(14-19)9-10-18(22(21)23)13-16-7-4-6-15-5-2-3-8-20(15)16/h2-8,11-14H,9-10H2,1H3/b18-13+.
What are the key properties of (2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one?
(2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one has a molecular weight of 314.38 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 134848209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).