3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one

C16H14O6 — CID 14794882

IUPAC3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc(O)cc2c1C(=O)C(O)C(c1ccc(O)cc1)O2
InChIInChI=1S/C16H14O6/c1-21-11-6-10(18)7-12-13(11)14(19)15(20)16(22-12)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3
InChIKeyWECLSYISBIFCMA-UHFFFAOYSA-N
MW302.28 g/mol
LogP1.78
Rot. Bonds2

About 3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one

3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one (PubChem CID 14794882) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is 3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
PubChem CID14794882
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc(O)cc2c1C(=O)C(O)C(c1ccc(O)cc1)O2
InChIInChI=1S/C16H14O6/c1-21-11-6-10(18)7-12-13(11)14(19)15(20)16(22-12)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3
InChIKeyWECLSYISBIFCMA-UHFFFAOYSA-N
XLogP1.78
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one (CID 14794882) is 3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one is COc1cc(O)cc2c1C(=O)C(O)C(c1ccc(O)cc1)O2.
What is the InChIKey of 3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is WECLSYISBIFCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-21-11-6-10(18)7-12-13(11)14(19)15(20)16(22-12)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3.
What are the key properties of 3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one?
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 302.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 14794882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).