2-(hydroxymethyl)phenol;1,10-phenanthroline

C19H16N2O2 — CID 139077716

IUPAC2-(hydroxymethyl)phenol;1,10-phenanthroline
SMILESOCc1ccccc1O.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C7H8O2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-5-6-3-1-2-4-7(6)9/h1-8H;1-4,8-9H,5H2
InChIKeyGRBZMINPNCYWFN-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.67
Rot. Bonds1

About 2-(hydroxymethyl)phenol;1,10-phenanthroline

2-(hydroxymethyl)phenol;1,10-phenanthroline (PubChem CID 139077716) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(hydroxymethyl)phenol;1,10-phenanthroline.

Molecular Properties

Compound Name2-(hydroxymethyl)phenol;1,10-phenanthroline
PubChem CID139077716
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-(hydroxymethyl)phenol;1,10-phenanthroline
SMILESOCc1ccccc1O.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C7H8O2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-5-6-3-1-2-4-7(6)9/h1-8H;1-4,8-9H,5H2
InChIKeyGRBZMINPNCYWFN-UHFFFAOYSA-N
XLogP3.67
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-(4-Hydroxyphenyl)-2,7-Phenanthroline
CID 447874
2-[(Quinolin-8-ylamino)methyl]phenol
CID 890662
4-Methyl-2-[(quinolin-8-ylamino)methyl]phenol
CID 929817
7-[[4-[(8-Hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 1351544
7-(Phenyl(8-quinolinylamino)methyl)-8-quinolinol
CID 256758
2-Hydroxy-4-methylbenzaldehyde 8-quinolinylhydrazone
CID 135421656
1-(2-hydroxyphenyl)-1-ethanone N-(8-quinolinyl)hydrazone
CID 135439635
2-{(E)-[2-(quinolin-8-yl)hydrazinylidene]methyl}phenol
CID 135472365
2-Allyl-6-(quinolin-3-ylaminomethyl)-phenol
CID 753633
7-[(4-Benzylpiperazin-1-yl)methyl]quinolin-8-ol
CID 3464194
4-[(E)-(quinolin-6-ylimino)methyl]benzene-1,3-diol
CID 660294
2-(Quinolin-3-ylaminomethyl)-phenol
CID 951469

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)phenol;1,10-phenanthroline?
The IUPAC name of 2-(hydroxymethyl)phenol;1,10-phenanthroline (CID 139077716) is 2-(hydroxymethyl)phenol;1,10-phenanthroline.
What is the SMILES notation for 2-(hydroxymethyl)phenol;1,10-phenanthroline?
The canonical SMILES for 2-(hydroxymethyl)phenol;1,10-phenanthroline is OCc1ccccc1O.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 2-(hydroxymethyl)phenol;1,10-phenanthroline?
The InChIKey is GRBZMINPNCYWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C7H8O2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-5-6-3-1-2-4-7(6)9/h1-8H;1-4,8-9H,5H2.
What are the key properties of 2-(hydroxymethyl)phenol;1,10-phenanthroline?
2-(hydroxymethyl)phenol;1,10-phenanthroline has a molecular weight of 304.35 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)phenol;1,10-phenanthroline is sourced from PubChem (CID 139077716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).