dichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol

C29H22Cl2F2N4O4 — CID 158819225

IUPACdichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol
SMILESCOc1cc(C=O)nc2c1c(F)cc1cccnc12.COc1cc(CO)nc2c1c(F)cc1cccnc12.ClCCl
InChIInChI=1S/C14H11FN2O2.C14H9FN2O2.CH2Cl2/c2*1-19-11-6-9(7-18)17-14-12(11)10(15)5-8-3-2-4-16-13(8)14;2-1-3/h2-6,18H,7H2,1H3;2-7H,1H3;1H2
InChIKeyIVQREDYSTRHVCO-UHFFFAOYSA-N
MW599.42 g/mol
LogP6.59
Rot. Bonds4

About dichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol

dichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol (PubChem CID 158819225) has the molecular formula C29H22Cl2F2N4O4 and a molecular weight of 599.42 g/mol. Its IUPAC name is dichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol.

Molecular Properties

Compound Namedichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol
PubChem CID158819225
Molecular FormulaC29H22Cl2F2N4O4
Molecular Weight599.42 g/mol
Exact Mass598.10
IUPAC Namedichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol
SMILESCOc1cc(C=O)nc2c1c(F)cc1cccnc12.COc1cc(CO)nc2c1c(F)cc1cccnc12.ClCCl
InChIInChI=1S/C14H11FN2O2.C14H9FN2O2.CH2Cl2/c2*1-19-11-6-9(7-18)17-14-12(11)10(15)5-8-3-2-4-16-13(8)14;2-1-3/h2-6,18H,7H2,1H3;2-7H,1H3;1H2
InChIKeyIVQREDYSTRHVCO-UHFFFAOYSA-N
XLogP6.59
TPSA107.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.42
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol?
The IUPAC name of dichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol (CID 158819225) is dichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol.
What is the SMILES notation for dichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol?
The canonical SMILES for dichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol is COc1cc(C=O)nc2c1c(F)cc1cccnc12.COc1cc(CO)nc2c1c(F)cc1cccnc12.ClCCl.
What is the InChIKey of dichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol?
The InChIKey is IVQREDYSTRHVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2.C14H9FN2O2.CH2Cl2/c2*1-19-11-6-9(7-18)17-14-12(11)10(15)5-8-3-2-4-16-13(8)14;2-1-3/h2-6,18H,7H2,1H3;2-7H,1H3;1H2.
What are the key properties of dichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol?
dichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol has a molecular weight of 599.42 g/mol, XLogP of 6.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;5-fluoro-4-methoxy-1,10-phenanthroline-2-carbaldehyde;(5-fluoro-4-methoxy-1,10-phenanthrolin-2-yl)methanol is sourced from PubChem (CID 158819225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).