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

C22H22O6 — CID 5364281

IUPAC2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one
SMILESCOCOc1cc(/C=C/c2oc3ccccc3c(=O)c2C)cc(OCOC)c1
InChIInChI=1S/C22H22O6/c1-15-20(28-21-7-5-4-6-19(21)22(15)23)9-8-16-10-17(26-13-24-2)12-18(11-16)27-14-25-3/h4-12H,13-14H2,1-3H3/b9-8+
InChIKeyVKGMCRFCJDSSNS-CMDGGOBGSA-N
MW382.41 g/mol
LogP4.24
Rot. Bonds8

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

2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one (PubChem CID 5364281) has the molecular formula C22H22O6 and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one.

Molecular Properties

Compound Name2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one
PubChem CID5364281
Molecular FormulaC22H22O6
Molecular Weight382.41 g/mol
Exact Mass382.14
IUPAC Name2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one
SMILESCOCOc1cc(/C=C/c2oc3ccccc3c(=O)c2C)cc(OCOC)c1
InChIInChI=1S/C22H22O6/c1-15-20(28-21-7-5-4-6-19(21)22(15)23)9-8-16-10-17(26-13-24-2)12-18(11-16)27-14-25-3/h4-12H,13-14H2,1-3H3/b9-8+
InChIKeyVKGMCRFCJDSSNS-CMDGGOBGSA-N
XLogP4.24
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-[3,5-bis(phenylmethoxy)phenyl]ethenyl]-3-methylchromen-4-one
CID 5368373
3-methyl-2-(2-phenylethenyl)chromen-4-one
CID 85448922
1,3-bis(methoxymethoxy)-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 71496849
3-(methoxymethoxy)-4-methylchromen-2-one
CID 90835819
4-[2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenol
CID 142671127
2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one
CID 91534261
3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
CID 735040
2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one;ethane
CID 143993570
[4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
CID 6918862
4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]benzonitrile
CID 57430908
methyl 4-[(E)-2-(6-fluoro-3-methyl-4-oxochromen-2-yl)ethenyl]benzoate
CID 2120093
2-[3-methyl-4-oxo-2-[(E)-2-phenylethenyl]chromen-8-yl]acetic acid
CID 14985939

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one?
The IUPAC name of 2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one (CID 5364281) is 2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one.
What is the SMILES notation for 2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one?
The canonical SMILES for 2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one is COCOc1cc(/C=C/c2oc3ccccc3c(=O)c2C)cc(OCOC)c1.
What is the InChIKey of 2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one?
The InChIKey is VKGMCRFCJDSSNS-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H22O6/c1-15-20(28-21-7-5-4-6-19(21)22(15)23)9-8-16-10-17(26-13-24-2)12-18(11-16)27-14-25-3/h4-12H,13-14H2,1-3H3/b9-8+.
What are the key properties of 2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one?
2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one has a molecular weight of 382.41 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]-3-methylchromen-4-one is sourced from PubChem (CID 5364281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).