(2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one

C23H25NO3 — CID 1219913

IUPAC(2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc(/C=C2\CCc3ccccc3C2=O)cc1CN1CCOCC1
InChIInChI=1S/C23H25NO3/c1-26-22-9-6-17(15-20(22)16-24-10-12-27-13-11-24)14-19-8-7-18-4-2-3-5-21(18)23(19)25/h2-6,9,14-15H,7-8,10-13,16H2,1H3/b19-14+
InChIKeyBVZSXEHECAAMQQ-XMHGGMMESA-N
MW363.46 g/mol
LogP3.74
Rot. Bonds4

About (2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one

(2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 1219913) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
PubChem CID1219913
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name(2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc(/C=C2\CCc3ccccc3C2=O)cc1CN1CCOCC1
InChIInChI=1S/C23H25NO3/c1-26-22-9-6-17(15-20(22)16-24-10-12-27-13-11-24)14-19-8-7-18-4-2-3-5-21(18)23(19)25/h2-6,9,14-15H,7-8,10-13,16H2,1H3/b19-14+
InChIKeyBVZSXEHECAAMQQ-XMHGGMMESA-N
XLogP3.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one (CID 1219913) is (2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one is COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1CN1CCOCC1.
What is the InChIKey of (2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one?
The InChIKey is BVZSXEHECAAMQQ-XMHGGMMESA-N. The full InChI is InChI=1S/C23H25NO3/c1-26-22-9-6-17(15-20(22)16-24-10-12-27-13-11-24)14-19-8-7-18-4-2-3-5-21(18)23(19)25/h2-6,9,14-15H,7-8,10-13,16H2,1H3/b19-14+.
What are the key properties of (2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one?
(2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 363.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 1219913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).