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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Related Compounds

(4S)-5-hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 71533318
7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one
CID 102427491
(4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540146
4-(4-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71755298
(4R)-4-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-3,4-dihydrochromen-2-one;(4S)-4-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-3,4-dihydrochromen-2-one
CID 160618933
5-hydroxy-4-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-3,4,7,8-tetrahydropyrano[3,2-g]chromene-2,6-dione
CID 42607961
(4S)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 121484594
6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 44601497
(4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one
CID 159529781
(4R)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-7-propoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-7-propoxy-3,4-dihydrochromen-2-one;(4R)-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one;(4S)-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 159625686
4-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-3,4-dihydrochromen-2-one
CID 102564866
(4S)-5,7-dihydroxy-4-pyridin-3-yl-3,4-dihydrochromen-2-one
CID 74538952

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).