(E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one

C25H22O3 — CID 66573540

IUPAC(E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)c2c1C=CC(C)(C)O2
InChIInChI=1S/C25H22O3/c1-25(2)15-14-21-23(27-3)13-11-20(24(21)28-25)22(26)12-9-17-8-10-18-6-4-5-7-19(18)16-17/h4-16H,1-3H3/b12-9+
InChIKeyZVTRFDDMWRARPP-FMIVXFBMSA-N
MW370.45 g/mol
LogP5.93
Rot. Bonds4

About (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one

(E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one (PubChem CID 66573540) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one
PubChem CID66573540
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Name(E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)c2c1C=CC(C)(C)O2
InChIInChI=1S/C25H22O3/c1-25(2)15-14-21-23(27-3)13-11-20(24(21)28-25)22(26)12-9-17-8-10-18-6-4-5-7-19(18)16-17/h4-16H,1-3H3/b12-9+
InChIKeyZVTRFDDMWRARPP-FMIVXFBMSA-N
XLogP5.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one (CID 66573540) is (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one is COc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)c2c1C=CC(C)(C)O2.
What is the InChIKey of (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is ZVTRFDDMWRARPP-FMIVXFBMSA-N. The full InChI is InChI=1S/C25H22O3/c1-25(2)15-14-21-23(27-3)13-11-20(24(21)28-25)22(26)12-9-17-8-10-18-6-4-5-7-19(18)16-17/h4-16H,1-3H3/b12-9+.
What are the key properties of (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one?
(E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 370.45 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 66573540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).