2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione

C32H26O4 — CID 56934567

IUPAC2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione
SMILESC=C(C)Cc1ccc2c(c1OCc1ccccc1)C(=O)c1cccc(OCc3ccccc3)c1C2=O
InChIInChI=1S/C32H26O4/c1-21(2)18-24-16-17-26-29(32(24)36-20-23-12-7-4-8-13-23)31(34)25-14-9-15-27(28(25)30(26)33)35-19-22-10-5-3-6-11-22/h3-17H,1,18-20H2,2H3
InChIKeyFGVKAJYDHVIWRP-UHFFFAOYSA-N
MW474.56 g/mol
LogP6.74
Rot. Bonds8

About 2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione

2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione (PubChem CID 56934567) has the molecular formula C32H26O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione
PubChem CID56934567
Molecular FormulaC32H26O4
Molecular Weight474.56 g/mol
Exact Mass474.18
IUPAC Name2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione
SMILESC=C(C)Cc1ccc2c(c1OCc1ccccc1)C(=O)c1cccc(OCc3ccccc3)c1C2=O
InChIInChI=1S/C32H26O4/c1-21(2)18-24-16-17-26-29(32(24)36-20-23-12-7-4-8-13-23)31(34)25-14-9-15-27(28(25)30(26)33)35-19-22-10-5-3-6-11-22/h3-17H,1,18-20H2,2H3
InChIKeyFGVKAJYDHVIWRP-UHFFFAOYSA-N
XLogP6.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Beta-Naphthoflavone
CID 2361
Alpha-Naphthoflavone
CID 11790
Cra 13
CID 9799417
1,4-Dimethoxyanthraquinone
CID 266054
C.I. Vat Green 1
CID 31410
3-Methoxy-7H-benz(de)anthracen-7-one
CID 77267
3',4'-Dimethoxy-alpha-naphthoflavone
CID 276138
8-Hydroxy-1-methoxy-3-methyl-9,10-anthracenedione
CID 13412789
MM 47755
CID 164046
8-O-Methyltetrangomycin
CID 10019885
4H-1-Benzopyran-4-one, 2-(1-naphthalenyl)-
CID 623335
Tecomaquinone I
CID 3574508

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione?
The IUPAC name of 2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione (CID 56934567) is 2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione is C=C(C)Cc1ccc2c(c1OCc1ccccc1)C(=O)c1cccc(OCc3ccccc3)c1C2=O.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione?
The InChIKey is FGVKAJYDHVIWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O4/c1-21(2)18-24-16-17-26-29(32(24)36-20-23-12-7-4-8-13-23)31(34)25-14-9-15-27(28(25)30(26)33)35-19-22-10-5-3-6-11-22/h3-17H,1,18-20H2,2H3.
What are the key properties of 2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione?
2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione has a molecular weight of 474.56 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1,5-bis(phenylmethoxy)anthracene-9,10-dione is sourced from PubChem (CID 56934567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).