1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione

C20H14Cl2O4 — CID 13005616

IUPAC1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
SMILESC=C(Cl)COc1ccc(OCC(=C)Cl)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H14Cl2O4/c1-11(21)9-25-15-7-8-16(26-10-12(2)22)18-17(15)19(23)13-5-3-4-6-14(13)20(18)24/h3-8H,1-2,9-10H2
InChIKeyDKSJRBGDQGTUOY-UHFFFAOYSA-N
MW389.23 g/mol
LogP4.72
Rot. Bonds6

About 1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione

1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione (PubChem CID 13005616) has the molecular formula C20H14Cl2O4 and a molecular weight of 389.23 g/mol. Its IUPAC name is 1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione.

Molecular Properties

Compound Name1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
PubChem CID13005616
Molecular FormulaC20H14Cl2O4
Molecular Weight389.23 g/mol
Exact Mass388.03
IUPAC Name1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
SMILESC=C(Cl)COc1ccc(OCC(=C)Cl)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H14Cl2O4/c1-11(21)9-25-15-7-8-16(26-10-12(2)22)18-17(15)19(23)13-5-3-4-6-14(13)20(18)24/h3-8H,1-2,9-10H2
InChIKeyDKSJRBGDQGTUOY-UHFFFAOYSA-N
XLogP4.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 54.72
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

6-Methoxyflavone
CID 147157
Alpha-Naphthoflavone
CID 11790
1,4-Dimethoxyanthraquinone
CID 266054
2-Methoxyxanthone
CID 71034
3'-Methoxyflavone
CID 619834
6,3'-Dimethoxyflavone
CID 676293
6,4'-Dimethoxyflavone
CID 688670
6-Methoxyflavanone
CID 97860
Tecomaquinone I
CID 3574508
4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-
CID 5319482
1-Methoxy-9,10-anthracenedione
CID 6707
9,10-Anthracenedione, 1,5-diphenoxy-
CID 6699

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione?
The IUPAC name of 1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione (CID 13005616) is 1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione.
What is the SMILES notation for 1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione?
The canonical SMILES for 1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione is C=C(Cl)COc1ccc(OCC(=C)Cl)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione?
The InChIKey is DKSJRBGDQGTUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2O4/c1-11(21)9-25-15-7-8-16(26-10-12(2)22)18-17(15)19(23)13-5-3-4-6-14(13)20(18)24/h3-8H,1-2,9-10H2.
What are the key properties of 1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione?
1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione has a molecular weight of 389.23 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione is sourced from PubChem (CID 13005616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).