4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline

C14H10Cl2N2O2 — CID 12065047

IUPAC4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline
SMILESCOc1c(OC)c2c(Cl)ccnc2c2nccc(Cl)c12
InChIInChI=1S/C14H10Cl2N2O2/c1-19-13-9-7(15)3-5-17-11(9)12-10(14(13)20-2)8(16)4-6-18-12/h3-6H,1-2H3
InChIKeyPKHHONSJYLZSQK-UHFFFAOYSA-N
MW309.15 g/mol
LogP4.11
Rot. Bonds2

About 4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline

4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline (PubChem CID 12065047) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline
PubChem CID12065047
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC Name4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline
SMILESCOc1c(OC)c2c(Cl)ccnc2c2nccc(Cl)c12
InChIInChI=1S/C14H10Cl2N2O2/c1-19-13-9-7(15)3-5-17-11(9)12-10(14(13)20-2)8(16)4-6-18-12/h3-6H,1-2H3
InChIKeyPKHHONSJYLZSQK-UHFFFAOYSA-N
XLogP4.11
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-8-methoxyquinoline
CID 43531957
8-chloro-4-methoxy-3-methyl-1,5-naphthyridine
CID 144929643
8-chloro-3-iodo-4-methoxy-1,5-naphthyridine
CID 118407435
4-chloro-5-methoxyquinolin-8-amine
CID 19592989
4-chloro-7-methoxy-8-methylquinoline
CID 21101954
4-chloro-5-methoxy-8-nitroquinoline
CID 19592414
3,4-dichloro-2-methoxypyridine
CID 57485134
4-chloro-3-methoxy-2-nitropyridine
CID 118816887
4,5-dichloroquinolin-8-amine
CID 19592780
5-bromo-4,8-dichloroquinoline
CID 62908568
4,9-dichloroquinolino[7,8-h]quinoline;palladium(2+);dichloride
CID 10162595
7-bromo-5-chloro-8-methoxyquinoline
CID 58763008

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline?
The IUPAC name of 4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline (CID 12065047) is 4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline.
What is the SMILES notation for 4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline?
The canonical SMILES for 4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline is COc1c(OC)c2c(Cl)ccnc2c2nccc(Cl)c12.
What is the InChIKey of 4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline?
The InChIKey is PKHHONSJYLZSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/c1-19-13-9-7(15)3-5-17-11(9)12-10(14(13)20-2)8(16)4-6-18-12/h3-6H,1-2H3.
What are the key properties of 4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline?
4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline has a molecular weight of 309.15 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline is sourced from PubChem (CID 12065047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).