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

C22H18O2 — CID 46505770

IUPAC(2E)-6-methoxy-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CC/C(=C\c1ccc3ccccc3c1)C2=O
InChIInChI=1S/C22H18O2/c1-24-20-10-11-21-18(14-20)8-9-19(22(21)23)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,10-14H,8-9H2,1H3/b19-13+
InChIKeyLKPWFNAURUXANK-CPNJWEJPSA-N
MW314.38 g/mol
LogP5.06
Rot. Bonds2

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

(2E)-6-methoxy-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one (PubChem CID 46505770) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2E)-6-methoxy-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-6-methoxy-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
PubChem CID46505770
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(2E)-6-methoxy-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CC/C(=C\c1ccc3ccccc3c1)C2=O
InChIInChI=1S/C22H18O2/c1-24-20-10-11-21-18(14-20)8-9-19(22(21)23)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,10-14H,8-9H2,1H3/b19-13+
InChIKeyLKPWFNAURUXANK-CPNJWEJPSA-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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Frequently Asked Questions

What is the IUPAC name of (2E)-6-methoxy-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-6-methoxy-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one (CID 46505770) is (2E)-6-methoxy-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-6-methoxy-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-6-methoxy-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one is COc1ccc2c(c1)CC/C(=C\c1ccc3ccccc3c1)C2=O.
What is the InChIKey of (2E)-6-methoxy-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The InChIKey is LKPWFNAURUXANK-CPNJWEJPSA-N. The full InChI is InChI=1S/C22H18O2/c1-24-20-10-11-21-18(14-20)8-9-19(22(21)23)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,10-14H,8-9H2,1H3/b19-13+.
What are the key properties of (2E)-6-methoxy-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one?
(2E)-6-methoxy-2-(naphthalen-2-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-2-ylmethylidene)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 46505770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).