2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one

C26H20O5 — CID 20981237

IUPAC2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one
SMILESCOc1ccc(C=CC(=O)c2ccc3oc(-c4ccc(OC)cc4)cc(=O)c3c2)cc1
InChIInChI=1S/C26H20O5/c1-29-20-9-3-17(4-10-20)5-13-23(27)19-8-14-25-22(15-19)24(28)16-26(31-25)18-6-11-21(30-2)12-7-18/h3-16H,1-2H3
InChIKeyKTYKSWONSPXZEL-UHFFFAOYSA-N
MW412.44 g/mol
LogP5.37
Rot. Bonds6

About 2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one

2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one (PubChem CID 20981237) has the molecular formula C26H20O5 and a molecular weight of 412.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one
PubChem CID20981237
Molecular FormulaC26H20O5
Molecular Weight412.44 g/mol
Exact Mass412.13
IUPAC Name2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one
SMILESCOc1ccc(C=CC(=O)c2ccc3oc(-c4ccc(OC)cc4)cc(=O)c3c2)cc1
InChIInChI=1S/C26H20O5/c1-29-20-9-3-17(4-10-20)5-13-23(27)19-8-14-25-22(15-19)24(28)16-26(31-25)18-6-11-21(30-2)12-7-18/h3-16H,1-2H3
InChIKeyKTYKSWONSPXZEL-UHFFFAOYSA-N
XLogP5.37
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.44
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108730745
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5357659
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
(E)-3-(furan-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]prop-2-enamide
CID 108730677

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one (CID 20981237) is 2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one is COc1ccc(C=CC(=O)c2ccc3oc(-c4ccc(OC)cc4)cc(=O)c3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one?
The InChIKey is KTYKSWONSPXZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O5/c1-29-20-9-3-17(4-10-20)5-13-23(27)19-8-14-25-22(15-19)24(28)16-26(31-25)18-6-11-21(30-2)12-7-18/h3-16H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one?
2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one has a molecular weight of 412.44 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-[3-(4-methoxyphenyl)prop-2-enoyl]chromen-4-one is sourced from PubChem (CID 20981237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).