1-chloro-1,2-dihydroanthracene-9,10-dione

C14H9ClO2 — CID 89138796

IUPAC1-chloro-1,2-dihydroanthracene-9,10-dione
SMILESO=C1C2=C(C(=O)c3ccccc31)C(Cl)CC=C2
InChIInChI=1S/C14H9ClO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-6,11H,7H2
InChIKeySVRVVTKYUFYAJY-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.93
Rot. Bonds

About 1-chloro-1,2-dihydroanthracene-9,10-dione

1-chloro-1,2-dihydroanthracene-9,10-dione (PubChem CID 89138796) has the molecular formula C14H9ClO2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 1-chloro-1,2-dihydroanthracene-9,10-dione.

Molecular Properties

Compound Name1-chloro-1,2-dihydroanthracene-9,10-dione
PubChem CID89138796
Molecular FormulaC14H9ClO2
Molecular Weight244.68 g/mol
Exact Mass244.03
IUPAC Name1-chloro-1,2-dihydroanthracene-9,10-dione
SMILESO=C1C2=C(C(=O)c3ccccc31)C(Cl)CC=C2
InChIInChI=1S/C14H9ClO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-6,11H,7H2
InChIKeySVRVVTKYUFYAJY-UHFFFAOYSA-N
XLogP2.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8H-cyclohepta[b]naphthalene-5,11-dione
CID 142997660
2H-anthracene-1,9,10-trione
CID 53433123
anthracene-9,10-dione;hydrofluoride
CID 172728823
2-chloro-3-[3-(3-chloro-1,4-dioxonaphthalen-2-yl)cyclohexyl]naphthalene-1,4-dione
CID 139785662
8-methyl-8H-cyclohepta[b]naphthalene-5,11-dione
CID 142086620
1-(dibromomethylidene)-2H-anthracene-9,10-dione
CID 141111128
phenanthrene-9,10-dione
CID 6763
CID 66807709
CID 66807709
CID 67824005
CID 67824005
lithium;anthracene-9,10-dione;hydride
CID 174683199
2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1,3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaene-5,12,20,27-tetrone
CID 172996923
2-(4-tert-butylcyclohexyl)-3-chloronaphthalene-1,4-dione;ethane
CID 143871807

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,2-dihydroanthracene-9,10-dione?
The IUPAC name of 1-chloro-1,2-dihydroanthracene-9,10-dione (CID 89138796) is 1-chloro-1,2-dihydroanthracene-9,10-dione.
What is the SMILES notation for 1-chloro-1,2-dihydroanthracene-9,10-dione?
The canonical SMILES for 1-chloro-1,2-dihydroanthracene-9,10-dione is O=C1C2=C(C(=O)c3ccccc31)C(Cl)CC=C2.
What is the InChIKey of 1-chloro-1,2-dihydroanthracene-9,10-dione?
The InChIKey is SVRVVTKYUFYAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-6,11H,7H2.
What are the key properties of 1-chloro-1,2-dihydroanthracene-9,10-dione?
1-chloro-1,2-dihydroanthracene-9,10-dione has a molecular weight of 244.68 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2-dihydroanthracene-9,10-dione is sourced from PubChem (CID 89138796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).