7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one

C20H20O4 — CID 7140108

IUPAC7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one
SMILESCc1cc(Oc2c(C)oc3cc(O)ccc3c2=O)ccc1C(C)C
InChIInChI=1S/C20H20O4/c1-11(2)16-8-6-15(9-12(16)3)24-20-13(4)23-18-10-14(21)5-7-17(18)19(20)22/h5-11,21H,1-4H3
InChIKeyDKOSUNASTJULCT-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.03
Rot. Bonds3

About 7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one

7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one (PubChem CID 7140108) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one
PubChem CID7140108
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one
SMILESCc1cc(Oc2c(C)oc3cc(O)ccc3c2=O)ccc1C(C)C
InChIInChI=1S/C20H20O4/c1-11(2)16-8-6-15(9-12(16)3)24-20-13(4)23-18-10-14(21)5-7-17(18)19(20)22/h5-11,21H,1-4H3
InChIKeyDKOSUNASTJULCT-UHFFFAOYSA-N
XLogP5.03
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5415951
7-hydroxy-3-(4-iodophenoxy)-2-methylchromen-4-one
CID 5453334
7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one
CID 5408165
(2S)-2-[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxypropanoate
CID 6972935
3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5408610
2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one
CID 1109327
7-hydroxy-2-methyl-3-(2-phenylphenoxy)chromen-4-one
CID 7140080
ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
CID 981923
7-hydroxy-3-[4-(4-methylphenyl)phenoxy]-2-(trifluoromethyl)chromen-4-one
CID 7140127
3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one
CID 5398995
[3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl] 2-methylbenzoate
CID 2006572
methyl 4-[7-(2-chloropropanoyloxy)-2-methyl-4-oxochromen-3-yl]oxybenzoate
CID 110274745

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one?
The IUPAC name of 7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one (CID 7140108) is 7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one?
The canonical SMILES for 7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one is Cc1cc(Oc2c(C)oc3cc(O)ccc3c2=O)ccc1C(C)C.
What is the InChIKey of 7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one?
The InChIKey is DKOSUNASTJULCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-11(2)16-8-6-15(9-12(16)3)24-20-13(4)23-18-10-14(21)5-7-17(18)19(20)22/h5-11,21H,1-4H3.
What are the key properties of 7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one?
7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one has a molecular weight of 324.38 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one is sourced from PubChem (CID 7140108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).