3-(4-propoxyphenyl)-1,10-phenanthroline

C21H18N2O — CID 174763082

IUPAC3-(4-propoxyphenyl)-1,10-phenanthroline
SMILESCCCOc1ccc(-c2cnc3c(ccc4cccnc43)c2)cc1
InChIInChI=1S/C21H18N2O/c1-2-12-24-19-9-7-15(8-10-19)18-13-17-6-5-16-4-3-11-22-20(16)21(17)23-14-18/h3-11,13-14H,2,12H2,1H3
InChIKeySPWIWGFWJCPJBY-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.24
Rot. Bonds4

About 3-(4-propoxyphenyl)-1,10-phenanthroline

3-(4-propoxyphenyl)-1,10-phenanthroline (PubChem CID 174763082) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(4-propoxyphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name3-(4-propoxyphenyl)-1,10-phenanthroline
PubChem CID174763082
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name3-(4-propoxyphenyl)-1,10-phenanthroline
SMILESCCCOc1ccc(-c2cnc3c(ccc4cccnc43)c2)cc1
InChIInChI=1S/C21H18N2O/c1-2-12-24-19-9-7-15(8-10-19)18-13-17-6-5-16-4-3-11-22-20(16)21(17)23-14-18/h3-11,13-14H,2,12H2,1H3
InChIKeySPWIWGFWJCPJBY-UHFFFAOYSA-N
XLogP5.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.24
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

3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
3-[3-(1,10-phenanthrolin-3-yl)anthracen-2-yl]-1,10-phenanthroline
CID 170897527
3-[4-[4-(3,5-difluorophenyl)-6-[4-(1,10-phenanthrolin-3-yl)phenyl]-1λ3,3λ3,5λ3-triiodacyclohexa-1,3,5-trien-2-yl]phenyl]-1,10-phenanthroline
CID 163637292
3-(4-methoxyphenyl)-1,8-naphthyridine
CID 132535083
2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine
CID 23190649
3-[4-(5-pyrazin-2-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline
CID 146248863
N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine
CID 170404750
bis(1,10-phenanthroline);ruthenium
CID 15001085
3-(4-dibenzothiophen-2-ylphenyl)-1,10-phenanthroline
CID 90050319
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline
CID 58954213
7-bromo-8-propoxyquinoline
CID 100612692

Frequently Asked Questions

What is the IUPAC name of 3-(4-propoxyphenyl)-1,10-phenanthroline?
The IUPAC name of 3-(4-propoxyphenyl)-1,10-phenanthroline (CID 174763082) is 3-(4-propoxyphenyl)-1,10-phenanthroline.
What is the SMILES notation for 3-(4-propoxyphenyl)-1,10-phenanthroline?
The canonical SMILES for 3-(4-propoxyphenyl)-1,10-phenanthroline is CCCOc1ccc(-c2cnc3c(ccc4cccnc43)c2)cc1.
What is the InChIKey of 3-(4-propoxyphenyl)-1,10-phenanthroline?
The InChIKey is SPWIWGFWJCPJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-2-12-24-19-9-7-15(8-10-19)18-13-17-6-5-16-4-3-11-22-20(16)21(17)23-14-18/h3-11,13-14H,2,12H2,1H3.
What are the key properties of 3-(4-propoxyphenyl)-1,10-phenanthroline?
3-(4-propoxyphenyl)-1,10-phenanthroline has a molecular weight of 314.39 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propoxyphenyl)-1,10-phenanthroline is sourced from PubChem (CID 174763082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).