2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one

C32H26O4 — CID 5368373

IUPAC2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one
SMILESCc1c(/C=C/c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)oc2ccccc2c1=O
InChIInChI=1S/C32H26O4/c1-23-30(36-31-15-9-8-14-29(31)32(23)33)17-16-26-18-27(34-21-24-10-4-2-5-11-24)20-28(19-26)35-22-25-12-6-3-7-13-25/h2-20H,21-22H2,1H3/b17-16+
InChIKeyDHSWRQMRGIDUJX-WUKNDPDISA-N
MW474.56 g/mol
LogP7.43
Rot. Bonds8

About 2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one

2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one (PubChem CID 5368373) has the molecular formula C32H26O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one.

Molecular Properties

Compound Name2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one
PubChem CID5368373
Molecular FormulaC32H26O4
Molecular Weight474.56 g/mol
Exact Mass474.18
IUPAC Name2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one
SMILESCc1c(/C=C/c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)oc2ccccc2c1=O
InChIInChI=1S/C32H26O4/c1-23-30(36-31-15-9-8-14-29(31)32(23)33)17-16-26-18-27(34-21-24-10-4-2-5-11-24)20-28(19-26)35-22-25-12-6-3-7-13-25/h2-20H,21-22H2,1H3/b17-16+
InChIKeyDHSWRQMRGIDUJX-WUKNDPDISA-N
XLogP7.43
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one
CID 5364281
3-methyl-2-(2-phenylethenyl)chromen-4-one
CID 85448922
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 53395274
1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene
CID 11792933
2-(3-methylphenyl)-3-phenylmethoxychromen-4-one
CID 175470082
5-[[3,5-bis(phenylmethoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599819
3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
CID 735040
3-methyl-4-(phenylmethoxymethyl)chromen-2-one
CID 11346519
1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene
CID 141466658
methyl 4-oxo-2-(4-phenylmethoxyphenyl)chromene-3-carboxylate
CID 14791371
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
3-[(4-fluorophenyl)methoxy]-1-hydroxyxanthen-9-one
CID 6226763

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one?
The IUPAC name of 2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one (CID 5368373) is 2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one.
What is the SMILES notation for 2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one?
The canonical SMILES for 2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one is Cc1c(/C=C/c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)oc2ccccc2c1=O.
What is the InChIKey of 2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one?
The InChIKey is DHSWRQMRGIDUJX-WUKNDPDISA-N. The full InChI is InChI=1S/C32H26O4/c1-23-30(36-31-15-9-8-14-29(31)32(23)33)17-16-26-18-27(34-21-24-10-4-2-5-11-24)20-28(19-26)35-22-25-12-6-3-7-13-25/h2-20H,21-22H2,1H3/b17-16+.
What are the key properties of 2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one?
2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one has a molecular weight of 474.56 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one is sourced from PubChem (CID 5368373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).