(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one

C30H24O6 — CID 66687732

IUPAC(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1ccccc1.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H12O5.C15H12O/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13;16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-6,13,16-18H,7H2;1-12H/t13-;/m0./s1
InChIKeyYYVNAZCWVQHPMW-ZOWNYOTGSA-N
MW480.52 g/mol
LogP6.09
Rot. Bonds4

About (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one

(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one (PubChem CID 66687732) has the molecular formula C30H24O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one
PubChem CID66687732
Molecular FormulaC30H24O6
Molecular Weight480.52 g/mol
Exact Mass480.16
IUPAC Name(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1ccccc1.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H12O5.C15H12O/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13;16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-6,13,16-18H,7H2;1-12H/t13-;/m0./s1
InChIKeyYYVNAZCWVQHPMW-ZOWNYOTGSA-N
XLogP6.09
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 56.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one?
The IUPAC name of (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one (CID 66687732) is (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one is O=C(C=Cc1ccccc1)c1ccccc1.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21.
What is the InChIKey of (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one?
The InChIKey is YYVNAZCWVQHPMW-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H12O5.C15H12O/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13;16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-6,13,16-18H,7H2;1-12H/t13-;/m0./s1.
What are the key properties of (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one?
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one has a molecular weight of 480.52 g/mol, XLogP of 6.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 66687732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).