7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one

C22H26O3 — CID 59873237

IUPAC7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1cc(C)c2c(c1)OC(c1c(C)c(C)c(C)c(C)c1C)CC2=O
InChIInChI=1S/C22H26O3/c1-11-8-17(24-7)9-19-21(11)18(23)10-20(25-19)22-15(5)13(3)12(2)14(4)16(22)6/h8-9,20H,10H2,1-7H3
InChIKeyWRGNEMIMTFWKTK-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.25
Rot. Bonds2

About 7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one

7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one (PubChem CID 59873237) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one
PubChem CID59873237
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1cc(C)c2c(c1)OC(c1c(C)c(C)c(C)c(C)c1C)CC2=O
InChIInChI=1S/C22H26O3/c1-11-8-17(24-7)9-19-21(11)18(23)10-20(25-19)22-15(5)13(3)12(2)14(4)16(22)6/h8-9,20H,10H2,1-7H3
InChIKeyWRGNEMIMTFWKTK-UHFFFAOYSA-N
XLogP5.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 11078443
2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788462
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788463
(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163062623
(2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10336604
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
CID 10015092
2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 85087212
5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one
CID 14332451
(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-methyl-2,3-dihydrochromen-4-one
CID 163064511
2-(7-methoxy-2-methyl-4-oxo-2,3-dihydrochromen-5-yl)acetic acid
CID 596478
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one (CID 59873237) is 7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one is COc1cc(C)c2c(c1)OC(c1c(C)c(C)c(C)c(C)c1C)CC2=O.
What is the InChIKey of 7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is WRGNEMIMTFWKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O3/c1-11-8-17(24-7)9-19-21(11)18(23)10-20(25-19)22-15(5)13(3)12(2)14(4)16(22)6/h8-9,20H,10H2,1-7H3.
What are the key properties of 7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one?
7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 338.45 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 59873237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).