10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one

C25H26O7 — CID 19688731

IUPAC10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one
SMILESCOc1ccc(-c2c3c(c(O)c4cc(OC)c(OC)c(OC)c24)C(=O)CCC3)cc1OC
InChIInChI=1S/C25H26O7/c1-28-17-10-9-13(11-18(17)29-2)20-14-7-6-8-16(26)21(14)23(27)15-12-19(30-3)24(31-4)25(32-5)22(15)20/h9-12,27H,6-8H2,1-5H3
InChIKeyXKUNBRVKSWZDJR-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.77
Rot. Bonds6

About 10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one

10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one (PubChem CID 19688731) has the molecular formula C25H26O7 and a molecular weight of 438.48 g/mol. Its IUPAC name is 10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one.

Molecular Properties

Compound Name10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one
PubChem CID19688731
Molecular FormulaC25H26O7
Molecular Weight438.48 g/mol
Exact Mass438.17
IUPAC Name10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one
SMILESCOc1ccc(-c2c3c(c(O)c4cc(OC)c(OC)c(OC)c24)C(=O)CCC3)cc1OC
InChIInChI=1S/C25H26O7/c1-28-17-10-9-13(11-18(17)29-2)20-14-7-6-8-16(26)21(14)23(27)15-12-19(30-3)24(31-4)25(32-5)22(15)20/h9-12,27H,6-8H2,1-5H3
InChIKeyXKUNBRVKSWZDJR-UHFFFAOYSA-N
XLogP4.77
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one with MolForge

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Related Compounds

methyl 3-acetyl-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
CID 19688639
4-(1,3-benzodioxol-5-yl)-9-hydroxy-5,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one
CID 54329762
methyl 1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxy-3-(2-methylpropanoyl)naphthalene-2-carboxylate
CID 19688665
9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 10500931
9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one
CID 134913983
2-O-ethyl 3-O-methyl 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxynaphthalene-2,3-dicarboxylate
CID 10368697
methyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
CID 15337358
1-[4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxy-3-(methoxymethyl)naphthalen-2-yl]-3-ethylpentan-1-one
CID 142004809
3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one
CID 58028087
2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one
CID 5311531
2-methoxy-6-methyl-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-ol
CID 72725280
2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxyselenochromen-4-one
CID 142747654

Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one?
The IUPAC name of 10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one (CID 19688731) is 10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one.
What is the SMILES notation for 10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one?
The canonical SMILES for 10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one is COc1ccc(-c2c3c(c(O)c4cc(OC)c(OC)c(OC)c24)C(=O)CCC3)cc1OC.
What is the InChIKey of 10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one?
The InChIKey is XKUNBRVKSWZDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O7/c1-28-17-10-9-13(11-18(17)29-2)20-14-7-6-8-16(26)21(14)23(27)15-12-19(30-3)24(31-4)25(32-5)22(15)20/h9-12,27H,6-8H2,1-5H3.
What are the key properties of 10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one?
10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one has a molecular weight of 438.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one is sourced from PubChem (CID 19688731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).