5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol

C22H26N2O — CID 12994065

IUPAC5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(c2ccc3ccc4cccnc4c3n2)C1
InChIInChI=1S/C22H26N2O/c1-14(2)18-10-6-15(3)13-22(18,25)19-11-9-17-8-7-16-5-4-12-23-20(16)21(17)24-19/h4-5,7-9,11-12,14-15,18,25H,6,10,13H2,1-3H3
InChIKeyZWSDAILIINCYSB-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.06
Rot. Bonds2

About 5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol

5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol (PubChem CID 12994065) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol
PubChem CID12994065
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(c2ccc3ccc4cccnc4c3n2)C1
InChIInChI=1S/C22H26N2O/c1-14(2)18-10-6-15(3)13-22(18,25)19-11-9-17-8-7-16-5-4-12-23-20(16)21(17)24-19/h4-5,7-9,11-12,14-15,18,25H,6,10,13H2,1-3H3
InChIKeyZWSDAILIINCYSB-UHFFFAOYSA-N
XLogP5.06
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol with MolForge

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Related Compounds

(1S,2S,5R)-1-[6-[(1S,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]-2-pyridinyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 101183743
2-[(1S,3S,4S,5R)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl]-1,10-phenanthroline
CID 10881632
1-(2,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 63409046
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
bis(1,10-phenanthroline);ruthenium
CID 15001085
europium;1,10-phenanthroline
CID 20606755
(2S,3S)-butane-2,3-diamine;1,10-phenanthroline;platinum(2+)
CID 59769200
(5R)-5-methyl-2-[2-(1,10-phenanthrolin-2-yl)propan-2-yl]cyclohexan-1-one
CID 131724428

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol (CID 12994065) is 5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)(c2ccc3ccc4cccnc4c3n2)C1.
What is the InChIKey of 5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is ZWSDAILIINCYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-14(2)18-10-6-15(3)13-22(18,25)19-11-9-17-8-7-16-5-4-12-23-20(16)21(17)24-19/h4-5,7-9,11-12,14-15,18,25H,6,10,13H2,1-3H3.
What are the key properties of 5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol?
5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 334.46 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1,10-phenanthrolin-2-yl)-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 12994065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).