2,6-bis(phenylmethoxy)anthracene-9,10-dione

C28H20O4 — CID 147621413

IUPAC2,6-bis(phenylmethoxy)anthracene-9,10-dione
SMILESO=C1c2ccc(OCc3ccccc3)cc2C(=O)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C28H20O4/c29-27-24-14-12-22(32-18-20-9-5-2-6-10-20)16-26(24)28(30)23-13-11-21(15-25(23)27)31-17-19-7-3-1-4-8-19/h1-16H,17-18H2
InChIKeyGDYDEHUCFXTMOV-UHFFFAOYSA-N
MW420.46 g/mol
LogP5.62
Rot. Bonds6

About 2,6-bis(phenylmethoxy)anthracene-9,10-dione

2,6-bis(phenylmethoxy)anthracene-9,10-dione (PubChem CID 147621413) has the molecular formula C28H20O4 and a molecular weight of 420.46 g/mol. Its IUPAC name is 2,6-bis(phenylmethoxy)anthracene-9,10-dione.

Molecular Properties

Compound Name2,6-bis(phenylmethoxy)anthracene-9,10-dione
PubChem CID147621413
Molecular FormulaC28H20O4
Molecular Weight420.46 g/mol
Exact Mass420.14
IUPAC Name2,6-bis(phenylmethoxy)anthracene-9,10-dione
SMILESO=C1c2ccc(OCc3ccccc3)cc2C(=O)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C28H20O4/c29-27-24-14-12-22(32-18-20-9-5-2-6-10-20)16-26(24)28(30)23-13-11-21(15-25(23)27)31-17-19-7-3-1-4-8-19/h1-16H,17-18H2
InChIKeyGDYDEHUCFXTMOV-UHFFFAOYSA-N
XLogP5.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-2-phenylmethoxyfluoren-9-one
CID 82579583
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
2-phenyl-5-phenylmethoxyphenol
CID 123808909
3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
2-(9,10-dioxoanthracen-2-yl)oxyanthracene-9,10-dione
CID 4522874
2-[[4-(methylamino)phenoxy]methyl]anthracene-9,10-dione
CID 67471932
ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one
CID 91072000
6-methyl-5,5-dioxo-3-phenylmethoxybenzo[c][2,1]benzothiazepin-11-one
CID 130287184
6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 139435678
5-phenylmethoxy-2-prop-1-ynoxyindene-1,3-dione
CID 139638093
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene;4-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 160808164
1-methyl-5-phenylmethoxy-2H-indol-3-one
CID 155591084

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(phenylmethoxy)anthracene-9,10-dione?
The IUPAC name of 2,6-bis(phenylmethoxy)anthracene-9,10-dione (CID 147621413) is 2,6-bis(phenylmethoxy)anthracene-9,10-dione.
What is the SMILES notation for 2,6-bis(phenylmethoxy)anthracene-9,10-dione?
The canonical SMILES for 2,6-bis(phenylmethoxy)anthracene-9,10-dione is O=C1c2ccc(OCc3ccccc3)cc2C(=O)c2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 2,6-bis(phenylmethoxy)anthracene-9,10-dione?
The InChIKey is GDYDEHUCFXTMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O4/c29-27-24-14-12-22(32-18-20-9-5-2-6-10-20)16-26(24)28(30)23-13-11-21(15-25(23)27)31-17-19-7-3-1-4-8-19/h1-16H,17-18H2.
What are the key properties of 2,6-bis(phenylmethoxy)anthracene-9,10-dione?
2,6-bis(phenylmethoxy)anthracene-9,10-dione has a molecular weight of 420.46 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(phenylmethoxy)anthracene-9,10-dione is sourced from PubChem (CID 147621413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).