(4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone

C27H28O6 — CID 71028117

IUPAC(4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone
SMILESCOc1ccc(C(=O)C2c3cc(OC)cc(OC)c3Cc3cc(OC)cc(OC)c32)c(C)c1
InChIInChI=1S/C27H28O6/c1-15-9-17(29-2)7-8-20(15)27(28)26-22-12-19(31-4)13-23(32-5)21(22)11-16-10-18(30-3)14-24(33-6)25(16)26/h7-10,12-14,26H,11H2,1-6H3
InChIKeyWMTWWGPKCNFMKG-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.96
Rot. Bonds7

About (4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone

(4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone (PubChem CID 71028117) has the molecular formula C27H28O6 and a molecular weight of 448.52 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone
PubChem CID71028117
Molecular FormulaC27H28O6
Molecular Weight448.52 g/mol
Exact Mass448.19
IUPAC Name(4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone
SMILESCOc1ccc(C(=O)C2c3cc(OC)cc(OC)c3Cc3cc(OC)cc(OC)c32)c(C)c1
InChIInChI=1S/C27H28O6/c1-15-9-17(29-2)7-8-20(15)27(28)26-22-12-19(31-4)13-23(32-5)21(22)11-16-10-18(30-3)14-24(33-6)25(16)26/h7-10,12-14,26H,11H2,1-6H3
InChIKeyWMTWWGPKCNFMKG-UHFFFAOYSA-N
XLogP4.96
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
9-(3,5-dimethoxy-2-methylphenyl)-5,7,14-trimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 71028115
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226
2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone
CID 65406839
(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone
CID 114965478
(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanone
CID 80621939
(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947158
(1,1-dioxothiolan-3-yl)-(4-methoxy-2-methylphenyl)methanone
CID 113289660
(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone
CID 65391983
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 961018
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone?
The IUPAC name of (4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone (CID 71028117) is (4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone?
The canonical SMILES for (4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone is COc1ccc(C(=O)C2c3cc(OC)cc(OC)c3Cc3cc(OC)cc(OC)c32)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone?
The InChIKey is WMTWWGPKCNFMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O6/c1-15-9-17(29-2)7-8-20(15)27(28)26-22-12-19(31-4)13-23(32-5)21(22)11-16-10-18(30-3)14-24(33-6)25(16)26/h7-10,12-14,26H,11H2,1-6H3.
What are the key properties of (4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone?
(4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone has a molecular weight of 448.52 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-(1,3,5,7-tetramethoxy-9,10-dihydroanthracen-9-yl)methanone is sourced from PubChem (CID 71028117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).