(3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one

C20H18O4 — CID 86842499

IUPAC(3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one
SMILESC=CCOc1ccccc1/C=C1\COc2c(OC)cccc2C1=O
InChIInChI=1S/C20H18O4/c1-3-11-23-17-9-5-4-7-14(17)12-15-13-24-20-16(19(15)21)8-6-10-18(20)22-2/h3-10,12H,1,11,13H2,2H3/b15-12+
InChIKeyDUWZIYQXWYIVTO-NTCAYCPXSA-N
MW322.36 g/mol
LogP3.92
Rot. Bonds5

About (3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one

(3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one (PubChem CID 86842499) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is (3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one.

Molecular Properties

Compound Name(3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one
PubChem CID86842499
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name(3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one
SMILESC=CCOc1ccccc1/C=C1\COc2c(OC)cccc2C1=O
InChIInChI=1S/C20H18O4/c1-3-11-23-17-9-5-4-7-14(17)12-15-13-24-20-16(19(15)21)8-6-10-18(20)22-2/h3-10,12H,1,11,13H2,2H3/b15-12+
InChIKeyDUWZIYQXWYIVTO-NTCAYCPXSA-N
XLogP3.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one?
The IUPAC name of (3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one (CID 86842499) is (3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one.
What is the SMILES notation for (3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one?
The canonical SMILES for (3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one is C=CCOc1ccccc1/C=C1\COc2c(OC)cccc2C1=O.
What is the InChIKey of (3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one?
The InChIKey is DUWZIYQXWYIVTO-NTCAYCPXSA-N. The full InChI is InChI=1S/C20H18O4/c1-3-11-23-17-9-5-4-7-14(17)12-15-13-24-20-16(19(15)21)8-6-10-18(20)22-2/h3-10,12H,1,11,13H2,2H3/b15-12+.
What are the key properties of (3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one?
(3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one has a molecular weight of 322.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-8-methoxy-3-[(2-prop-2-enoxyphenyl)methylidene]chromen-4-one is sourced from PubChem (CID 86842499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).