10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one

C27H28O7 — CID 141111063

IUPAC10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one
SMILESCOc1c(OC)c(OC)c(C(OC)C2c3ccccc3C(=O)c3ccccc32)c(OC)c1OC
InChIInChI=1S/C27H28O7/c1-29-22(20-23(30-2)25(32-4)27(34-6)26(33-5)24(20)31-3)19-15-11-7-9-13-17(15)21(28)18-14-10-8-12-16(18)19/h7-14,19,22H,1-6H3
InChIKeyILHOGJKKBXVXBL-UHFFFAOYSA-N
MW464.51 g/mol
LogP4.79
Rot. Bonds8

About 10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one

10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one (PubChem CID 141111063) has the molecular formula C27H28O7 and a molecular weight of 464.51 g/mol. Its IUPAC name is 10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one.

Molecular Properties

Compound Name10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one
PubChem CID141111063
Molecular FormulaC27H28O7
Molecular Weight464.51 g/mol
Exact Mass464.18
IUPAC Name10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one
SMILESCOc1c(OC)c(OC)c(C(OC)C2c3ccccc3C(=O)c3ccccc32)c(OC)c1OC
InChIInChI=1S/C27H28O7/c1-29-22(20-23(30-2)25(32-4)27(34-6)26(33-5)24(20)31-3)19-15-11-7-9-13-17(15)21(28)18-14-10-8-12-16(18)19/h7-14,19,22H,1-6H3
InChIKeyILHOGJKKBXVXBL-UHFFFAOYSA-N
XLogP4.79
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one?
The IUPAC name of 10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one (CID 141111063) is 10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one.
What is the SMILES notation for 10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one?
The canonical SMILES for 10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one is COc1c(OC)c(OC)c(C(OC)C2c3ccccc3C(=O)c3ccccc32)c(OC)c1OC.
What is the InChIKey of 10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one?
The InChIKey is ILHOGJKKBXVXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O7/c1-29-22(20-23(30-2)25(32-4)27(34-6)26(33-5)24(20)31-3)19-15-11-7-9-13-17(15)21(28)18-14-10-8-12-16(18)19/h7-14,19,22H,1-6H3.
What are the key properties of 10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one?
10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one has a molecular weight of 464.51 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[methoxy-(2,3,4,5,6-pentamethoxyphenyl)methyl]-10H-anthracen-9-one is sourced from PubChem (CID 141111063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).