5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one

C17H12O4 — CID 6477679

IUPAC5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
SMILESO=c1cc(/C=C/c2ccccc2)oc2cc(O)cc(O)c12
InChIInChI=1S/C17H12O4/c18-12-8-14(19)17-15(20)10-13(21-16(17)9-12)7-6-11-4-2-1-3-5-11/h1-10,18-19H/b7-6+
InChIKeyMSKJMFJGOIKYGK-VOTSOKGWSA-N
MW280.28 g/mol
LogP3.37
Rot. Bonds2

About 5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one

5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one (PubChem CID 6477679) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
PubChem CID6477679
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
SMILESO=c1cc(/C=C/c2ccccc2)oc2cc(O)cc(O)c12
InChIInChI=1S/C17H12O4/c18-12-8-14(19)17-15(20)10-13(21-16(17)9-12)7-6-11-4-2-1-3-5-11/h1-10,18-19H/b7-6+
InChIKeyMSKJMFJGOIKYGK-VOTSOKGWSA-N
XLogP3.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one (CID 6477679) is 5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one is O=c1cc(/C=C/c2ccccc2)oc2cc(O)cc(O)c12.
What is the InChIKey of 5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one?
The InChIKey is MSKJMFJGOIKYGK-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H12O4/c18-12-8-14(19)17-15(20)10-13(21-16(17)9-12)7-6-11-4-2-1-3-5-11/h1-10,18-19H/b7-6+.
What are the key properties of 5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one?
5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one has a molecular weight of 280.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-[(E)-2-phenylethenyl]chromen-4-one is sourced from PubChem (CID 6477679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).