6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one

C18H16O4 — CID 13443565

IUPAC6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one
SMILESCOc1ccc(-c2c(C)oc3cc(C)c(O)cc3c2=O)cc1
InChIInChI=1S/C18H16O4/c1-10-8-16-14(9-15(10)19)18(20)17(11(2)22-16)12-4-6-13(21-3)7-5-12/h4-9,19H,1-3H3
InChIKeyYLBIGUYOQXRDQW-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.79
Rot. Bonds2

About 6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one

6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one (PubChem CID 13443565) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one.

Molecular Properties

Compound Name6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one
PubChem CID13443565
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one
SMILESCOc1ccc(-c2c(C)oc3cc(C)c(O)cc3c2=O)cc1
InChIInChI=1S/C18H16O4/c1-10-8-16-14(9-15(10)19)18(20)17(11(2)22-16)12-4-6-13(21-3)7-5-12/h4-9,19H,1-3H3
InChIKeyYLBIGUYOQXRDQW-UHFFFAOYSA-N
XLogP3.79
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143
ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 1323662
N-hydroxy-4-[3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide
CID 163133949
7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one
CID 2016693
5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
CID 788114
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
CID 7742761
6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866
6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one
CID 42604870
6-chloro-4-(4-chlorophenyl)-3-(4-methoxyphenyl)-7-methylchromen-2-one
CID 3563283
7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one
CID 139992853
4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol
CID 136602125
2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10619458

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one?
The IUPAC name of 6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one (CID 13443565) is 6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one.
What is the SMILES notation for 6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one?
The canonical SMILES for 6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one is COc1ccc(-c2c(C)oc3cc(C)c(O)cc3c2=O)cc1.
What is the InChIKey of 6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one?
The InChIKey is YLBIGUYOQXRDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-10-8-16-14(9-15(10)19)18(20)17(11(2)22-16)12-4-6-13(21-3)7-5-12/h4-9,19H,1-3H3.
What are the key properties of 6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one?
6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one has a molecular weight of 296.32 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(4-methoxyphenyl)-2,7-dimethylchromen-4-one is sourced from PubChem (CID 13443565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).