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

C16H14O5 — CID 11460348

IUPAC5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2CC(=O)Oc3cc(O)cc(O)c32)cc1
InChIInChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)12-8-15(19)21-14-7-10(17)6-13(18)16(12)14/h2-7,12,17-18H,8H2,1H3
InChIKeyOKBWVJGQTFYYQA-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.55
Rot. Bonds2

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

5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one (PubChem CID 11460348) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
PubChem CID11460348
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2CC(=O)Oc3cc(O)cc(O)c32)cc1
InChIInChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)12-8-15(19)21-14-7-10(17)6-13(18)16(12)14/h2-7,12,17-18H,8H2,1H3
InChIKeyOKBWVJGQTFYYQA-UHFFFAOYSA-N
XLogP2.55
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
The IUPAC name of 5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one (CID 11460348) is 5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one is COc1ccc(C2CC(=O)Oc3cc(O)cc(O)c32)cc1.
What is the InChIKey of 5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
The InChIKey is OKBWVJGQTFYYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)12-8-15(19)21-14-7-10(17)6-13(18)16(12)14/h2-7,12,17-18H,8H2,1H3.
What are the key properties of 5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one has a molecular weight of 286.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 11460348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).