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

C17H16O4 — CID 102427491

IUPAC7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2CC(=O)Oc3cc(O)cc(C)c32)cc1
InChIInChI=1S/C17H16O4/c1-10-7-12(18)8-15-17(10)14(9-16(19)21-15)11-3-5-13(20-2)6-4-11/h3-8,14,18H,9H2,1-2H3
InChIKeyUVFHONNEQXUTIS-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.15
Rot. Bonds2

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

7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one (PubChem CID 102427491) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one
PubChem CID102427491
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2CC(=O)Oc3cc(O)cc(C)c32)cc1
InChIInChI=1S/C17H16O4/c1-10-7-12(18)8-15-17(10)14(9-16(19)21-15)11-3-5-13(20-2)6-4-11/h3-8,14,18H,9H2,1-2H3
InChIKeyUVFHONNEQXUTIS-UHFFFAOYSA-N
XLogP3.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 11460348
(4S)-5-hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 71533318
(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
5-hydroxy-4-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-3,4,7,8-tetrahydropyrano[3,2-g]chromene-2,6-dione
CID 42607961
6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 44601497
(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 101014337
6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 163355823
(4S)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 121484594
4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione
CID 102564540
(4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione
CID 99998666
(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

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one?
The IUPAC name of 7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one (CID 102427491) is 7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one is COc1ccc(C2CC(=O)Oc3cc(O)cc(C)c32)cc1.
What is the InChIKey of 7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one?
The InChIKey is UVFHONNEQXUTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-10-7-12(18)8-15-17(10)14(9-16(19)21-15)11-3-5-13(20-2)6-4-11/h3-8,14,18H,9H2,1-2H3.
What are the key properties of 7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one?
7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one has a molecular weight of 284.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 102427491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).