(3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one

C16H12O5 — CID 15484393

IUPAC(3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)COc2cc(O)cc(O)c21
InChIInChI=1S/C16H12O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-7,17-19H,8H2/b10-5+
InChIKeyPKCWSPYCHMNVKB-BJMVGYQFSA-N
MW284.27 g/mol
LogP2.46
Rot. Bonds1

About (3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one

(3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one (PubChem CID 15484393) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is (3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one.

Molecular Properties

Compound Name(3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one
PubChem CID15484393
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name(3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)COc2cc(O)cc(O)c21
InChIInChI=1S/C16H12O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-7,17-19H,8H2/b10-5+
InChIKeyPKCWSPYCHMNVKB-BJMVGYQFSA-N
XLogP2.46
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one?
The IUPAC name of (3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one (CID 15484393) is (3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one.
What is the SMILES notation for (3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one?
The canonical SMILES for (3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one is O=C1/C(=C/c2ccc(O)cc2)COc2cc(O)cc(O)c21.
What is the InChIKey of (3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one?
The InChIKey is PKCWSPYCHMNVKB-BJMVGYQFSA-N. The full InChI is InChI=1S/C16H12O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-7,17-19H,8H2/b10-5+.
What are the key properties of (3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one?
(3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one has a molecular weight of 284.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one is sourced from PubChem (CID 15484393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).