1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione

C20H14Cl2O4 — CID 10937982

IUPAC1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
SMILESC=C(Cl)COc1cccc2c1C(=O)c1cccc(OCC(=C)Cl)c1C2=O
InChIInChI=1S/C20H14Cl2O4/c1-11(21)9-25-15-7-3-5-13-17(15)19(23)14-6-4-8-16(18(14)20(13)24)26-10-12(2)22/h3-8H,1-2,9-10H2
InChIKeyOGTQFSYQCOIKOI-UHFFFAOYSA-N
MW389.23 g/mol
LogP4.72
Rot. Bonds6

About 1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione

1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione (PubChem CID 10937982) has the molecular formula C20H14Cl2O4 and a molecular weight of 389.23 g/mol. Its IUPAC name is 1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione.

Molecular Properties

Compound Name1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
PubChem CID10937982
Molecular FormulaC20H14Cl2O4
Molecular Weight389.23 g/mol
Exact Mass388.03
IUPAC Name1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
SMILESC=C(Cl)COc1cccc2c1C(=O)c1cccc(OCC(=C)Cl)c1C2=O
InChIInChI=1S/C20H14Cl2O4/c1-11(21)9-25-15-7-3-5-13-17(15)19(23)14-6-4-8-16(18(14)20(13)24)26-10-12(2)22/h3-8H,1-2,9-10H2
InChIKeyOGTQFSYQCOIKOI-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

1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
CID 13005616
1,5-bis(2-methylprop-2-enoxy)anthracene-9,10-dione
CID 11131833
4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one
CID 60705449
1-(2-hydroxyethoxy)anthracene-9,10-dione
CID 67340699
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
CID 11289858
3-(2-chloroprop-2-enoxy)-2-methylphenol
CID 43143314
1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene
CID 130719015
1-(3-methylbut-2-enoxy)anthracene-9,10-dione
CID 86244771
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione
CID 90269328
1-hydroxy-5-prop-2-enoxy-2-prop-2-enylanthracene-9,10-dione
CID 11023639
2-(9,10-dioxoanthracen-1-yl)oxyethanesulfonic acid
CID 142419416

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione?
The IUPAC name of 1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione (CID 10937982) is 1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione.
What is the SMILES notation for 1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione?
The canonical SMILES for 1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione is C=C(Cl)COc1cccc2c1C(=O)c1cccc(OCC(=C)Cl)c1C2=O.
What is the InChIKey of 1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione?
The InChIKey is OGTQFSYQCOIKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2O4/c1-11(21)9-25-15-7-3-5-13-17(15)19(23)14-6-4-8-16(18(14)20(13)24)26-10-12(2)22/h3-8H,1-2,9-10H2.
What are the key properties of 1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione?
1,5-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 1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione is sourced from PubChem (CID 10937982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).