methanol;1,7-phenanthroline

C13H12N2O — CID 174496893

IUPACmethanol;1,7-phenanthroline
SMILESCO.c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/C12H8N2.CH4O/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-2/h1-8H;2H,1H3
InChIKeyLAQKBJIITUHOBM-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.39
Rot. Bonds

About methanol;1,7-phenanthroline

methanol;1,7-phenanthroline (PubChem CID 174496893) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is methanol;1,7-phenanthroline.

Molecular Properties

Compound Namemethanol;1,7-phenanthroline
PubChem CID174496893
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Namemethanol;1,7-phenanthroline
SMILESCO.c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/C12H8N2.CH4O/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-2/h1-8H;2H,1H3
InChIKeyLAQKBJIITUHOBM-UHFFFAOYSA-N
XLogP2.39
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,7-phenanthroline;dihydrochloride
CID 174688507
1,7-phenanthroline;vanadium
CID 174318955
nitric acid;1,7-phenanthroline
CID 175111698
europium(3+);1,7-phenanthroline;trinitrate
CID 174550774
tetrakis(N,N-diethylcarbamodithioate);1,7-phenanthroline;tin(4+)
CID 174667242
1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium
CID 175349925
tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline
CID 173066827
CID 87856781
CID 87856781
benzo[h]quinoline;naphthalene
CID 175017782
benzo[f]quinoline;iodomethane
CID 21121996
beryllium;benzo[h]quinoline;hydride;quinoline
CID 174631089
benzo[g]pteridine;1,7-phenanthroline
CID 69047537

Frequently Asked Questions

What is the IUPAC name of methanol;1,7-phenanthroline?
The IUPAC name of methanol;1,7-phenanthroline (CID 174496893) is methanol;1,7-phenanthroline.
What is the SMILES notation for methanol;1,7-phenanthroline?
The canonical SMILES for methanol;1,7-phenanthroline is CO.c1cnc2c(c1)ccc1ncccc12.
What is the InChIKey of methanol;1,7-phenanthroline?
The InChIKey is LAQKBJIITUHOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.CH4O/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-2/h1-8H;2H,1H3.
What are the key properties of methanol;1,7-phenanthroline?
methanol;1,7-phenanthroline has a molecular weight of 212.25 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1,7-phenanthroline is sourced from PubChem (CID 174496893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).