3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one

C19H16O5 — CID 71570349

IUPAC3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one
SMILESCOc1cccc2occ(/C=C/C(O)c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C19H16O5/c1-23-16-3-2-4-17-18(16)19(22)13(11-24-17)7-10-15(21)12-5-8-14(20)9-6-12/h2-11,15,20-21H,1H3/b10-7+
InChIKeyVVRVSSSNKLMIDS-JXMROGBWSA-N
MW324.33 g/mol
LogP3.25
Rot. Bonds4

About 3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one

3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one (PubChem CID 71570349) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one.

Molecular Properties

Compound Name3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one
PubChem CID71570349
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one
SMILESCOc1cccc2occ(/C=C/C(O)c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C19H16O5/c1-23-16-3-2-4-17-18(16)19(22)13(11-24-17)7-10-15(21)12-5-8-14(20)9-6-12/h2-11,15,20-21H,1H3/b10-7+
InChIKeyVVRVSSSNKLMIDS-JXMROGBWSA-N
XLogP3.25
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one?
The IUPAC name of 3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one (CID 71570349) is 3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one.
What is the SMILES notation for 3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one?
The canonical SMILES for 3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one is COc1cccc2occ(/C=C/C(O)c3ccc(O)cc3)c(=O)c12.
What is the InChIKey of 3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one?
The InChIKey is VVRVSSSNKLMIDS-JXMROGBWSA-N. The full InChI is InChI=1S/C19H16O5/c1-23-16-3-2-4-17-18(16)19(22)13(11-24-17)7-10-15(21)12-5-8-14(20)9-6-12/h2-11,15,20-21H,1H3/b10-7+.
What are the key properties of 3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one?
3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one has a molecular weight of 324.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-methoxychromen-4-one is sourced from PubChem (CID 71570349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).