3,6-dichlorophenanthrene-9,10-dione

C14H6Cl2O2 — CID 15371518

IUPAC3,6-dichlorophenanthrene-9,10-dione
SMILESO=C1C(=O)c2ccc(Cl)cc2-c2cc(Cl)ccc21
InChIInChI=1S/C14H6Cl2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6H
InChIKeyQMANTEXNUQSCLC-UHFFFAOYSA-N
MW277.11 g/mol
LogP4.04
Rot. Bonds

About 3,6-dichlorophenanthrene-9,10-dione

3,6-dichlorophenanthrene-9,10-dione (PubChem CID 15371518) has the molecular formula C14H6Cl2O2 and a molecular weight of 277.11 g/mol. Its IUPAC name is 3,6-dichlorophenanthrene-9,10-dione.

Molecular Properties

Compound Name3,6-dichlorophenanthrene-9,10-dione
PubChem CID15371518
Molecular FormulaC14H6Cl2O2
Molecular Weight277.11 g/mol
Exact Mass275.97
IUPAC Name3,6-dichlorophenanthrene-9,10-dione
SMILESO=C1C(=O)c2ccc(Cl)cc2-c2cc(Cl)ccc21
InChIInChI=1S/C14H6Cl2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6H
InChIKeyQMANTEXNUQSCLC-UHFFFAOYSA-N
XLogP4.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-chlorophenanthrene-9,10-dione
CID 67151037
8-chloroindeno[1,2-c]pyridin-5-one
CID 24975558
7-chloro-9,10-dioxoanthracene-2-sulfonic acid
CID 23463689
6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione
CID 141466090
2-chloro-7-iodofluoren-9-one
CID 86047410
5-chloro-2-(dimethylaminomethylidene)indene-1,3-dione
CID 171985158
6-chloro-9-oxofluorene-1-carboxylic acid
CID 18725229
(2E)-5-chloro-2-(5-chloro-3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
CID 71242732
1,4-diamino-6-chloro-9,10-dioxoanthracene-2,3-dicarbonitrile
CID 159694004
5-chloro-3H-indene-1,2-dione
CID 11074006
6-chloro-2,3-dipropylinden-1-one
CID 10490816
6-chloro-3-methylideneisoindol-1-one
CID 46863584

Frequently Asked Questions

What is the IUPAC name of 3,6-dichlorophenanthrene-9,10-dione?
The IUPAC name of 3,6-dichlorophenanthrene-9,10-dione (CID 15371518) is 3,6-dichlorophenanthrene-9,10-dione.
What is the SMILES notation for 3,6-dichlorophenanthrene-9,10-dione?
The canonical SMILES for 3,6-dichlorophenanthrene-9,10-dione is O=C1C(=O)c2ccc(Cl)cc2-c2cc(Cl)ccc21.
What is the InChIKey of 3,6-dichlorophenanthrene-9,10-dione?
The InChIKey is QMANTEXNUQSCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2O2/c15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17/h1-6H.
What are the key properties of 3,6-dichlorophenanthrene-9,10-dione?
3,6-dichlorophenanthrene-9,10-dione has a molecular weight of 277.11 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichlorophenanthrene-9,10-dione is sourced from PubChem (CID 15371518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).