9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione

C25H30O5 — CID 23909393

IUPAC9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione
SMILESCOc1ccc(C2C3=C(OC4=C2CC(C)(C)CC4=O)C(=O)CC(C)(C)C3)cc1OC
InChIInChI=1S/C25H30O5/c1-24(2)10-15-21(14-7-8-19(28-5)20(9-14)29-6)16-11-25(3,4)13-18(27)23(16)30-22(15)17(26)12-24/h7-9,21H,10-13H2,1-6H3
InChIKeyUCDMAAJLWPZQTA-UHFFFAOYSA-N
MW410.51 g/mol
LogP5.10
Rot. Bonds3

About 9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione

9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione (PubChem CID 23909393) has the molecular formula C25H30O5 and a molecular weight of 410.51 g/mol. Its IUPAC name is 9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione.

Molecular Properties

Compound Name9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione
PubChem CID23909393
Molecular FormulaC25H30O5
Molecular Weight410.51 g/mol
Exact Mass410.21
IUPAC Name9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione
SMILESCOc1ccc(C2C3=C(OC4=C2CC(C)(C)CC4=O)C(=O)CC(C)(C)C3)cc1OC
InChIInChI=1S/C25H30O5/c1-24(2)10-15-21(14-7-8-19(28-5)20(9-14)29-6)16-11-25(3,4)13-18(27)23(16)30-22(15)17(26)12-24/h7-9,21H,10-13H2,1-6H3
InChIKeyUCDMAAJLWPZQTA-UHFFFAOYSA-N
XLogP5.10
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione with MolForge

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Related Compounds

(4R)-4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 985666
(3R)-3-(3,4-dimethoxyphenyl)-5',5',6,6-tetramethylspiro[5,7-dihydro-3H-1-benzofuran-2,2'-cyclohexane]-1',3',4-trione
CID 1107067
4-(3,4-dimethoxyphenyl)-3-(iminomethylidene)-7,7-dimethyl-2-sulfanylidene-1,4,6,8-tetrahydroquinolin-5-one
CID 176519228
methyl (4R)-4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 982674
3-amino-4-(3-methoxyphenyl)-6,6-dimethyl-8-oxo-5,7-dihydro-4H-chromene-2-carbonitrile
CID 23857277
(4R)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 7571677
ethyl (4R)-2-amino-4-(4-ethoxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CID 8613994
(4S)-2-amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CID 7242366
2-methoxy-5-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)benzoic acid
CID 1345443
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 3162351
10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 3696926
12-(3,4-dimethoxyphenyl)-3-hydroxy-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 102098013

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione?
The IUPAC name of 9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione (CID 23909393) is 9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione.
What is the SMILES notation for 9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione?
The canonical SMILES for 9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione is COc1ccc(C2C3=C(OC4=C2CC(C)(C)CC4=O)C(=O)CC(C)(C)C3)cc1OC.
What is the InChIKey of 9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione?
The InChIKey is UCDMAAJLWPZQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O5/c1-24(2)10-15-21(14-7-8-19(28-5)20(9-14)29-6)16-11-25(3,4)13-18(27)23(16)30-22(15)17(26)12-24/h7-9,21H,10-13H2,1-6H3.
What are the key properties of 9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione?
9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione has a molecular weight of 410.51 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethoxyphenyl)-2,2,7,7-tetramethyl-3,6,8,9-tetrahydro-1H-xanthene-4,5-dione is sourced from PubChem (CID 23909393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).