2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride

C19H15ClN2O — CID 140537308

IUPAC2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride
SMILESCOc1ccccc1-c1ccc2ccc3cccnc3c2n1.Cl
InChIInChI=1S/C19H14N2O.ClH/c1-22-17-7-3-2-6-15(17)16-11-10-14-9-8-13-5-4-12-20-18(13)19(14)21-16;/h2-12H,1H3;1H
InChIKeyQYFFZCJJIGFACI-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.88
Rot. Bonds2

About 2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride

2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride (PubChem CID 140537308) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride
PubChem CID140537308
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride
SMILESCOc1ccccc1-c1ccc2ccc3cccnc3c2n1.Cl
InChIInChI=1S/C19H14N2O.ClH/c1-22-17-7-3-2-6-15(17)16-11-10-14-9-8-13-5-4-12-20-18(13)19(14)21-16;/h2-12H,1H3;1H
InChIKeyQYFFZCJJIGFACI-UHFFFAOYSA-N
XLogP4.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,9-bis(2-methoxyphenyl)-1,10-phenanthroline
CID 10691911
2-(2-methoxyphenyl)-8-(2-methylimidazol-1-yl)quinoline
CID 71111443
3-methoxy-6-quinolin-8-ylpyridin-2-amine
CID 82556280
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
bis(1,10-phenanthroline);ruthenium
CID 15001085
7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine
CID 171055106
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 145221325
5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline
CID 77084424
11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)
CID 139247806
2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline
CID 118861987
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride?
The IUPAC name of 2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride (CID 140537308) is 2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride.
What is the SMILES notation for 2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride?
The canonical SMILES for 2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride is COc1ccccc1-c1ccc2ccc3cccnc3c2n1.Cl.
What is the InChIKey of 2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride?
The InChIKey is QYFFZCJJIGFACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O.ClH/c1-22-17-7-3-2-6-15(17)16-11-10-14-9-8-13-5-4-12-20-18(13)19(14)21-16;/h2-12H,1H3;1H.
What are the key properties of 2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride?
2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride is sourced from PubChem (CID 140537308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).