[3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium

C14H15NO — CID 58907470

IUPAC[3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium
SMILES[CH2-][NH2+]Cc1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C14H15NO/c1-15-10-11-3-2-4-13(9-11)12-5-7-14(16)8-6-12/h2-9,16H,1,10,15H2
InChIKeyKQLQURGRVFOART-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.91
Rot. Bonds3

About [3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium

[3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium (PubChem CID 58907470) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is [3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium.

Molecular Properties

Compound Name[3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium
PubChem CID58907470
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name[3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium
SMILES[CH2-][NH2+]Cc1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C14H15NO/c1-15-10-11-3-2-4-13(9-11)12-5-7-14(16)8-6-12/h2-9,16H,1,10,15H2
InChIKeyKQLQURGRVFOART-UHFFFAOYSA-N
XLogP1.91
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(fluoromethyl)phenyl]phenol
CID 174968947
4-(3-benzylphenyl)phenol
CID 101277658
4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 139355118
N-[[3-(4-hydroxyphenyl)phenyl]methyl]formamide
CID 144526054
3-(4-hydroxyphenyl)phenol;hydrobromide
CID 153382873
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
N-[[3-(4-hydroxyphenyl)phenyl]methyl]acetamide
CID 56704021
[3-(4-hydroxyphenyl)phenyl]methyl dimethyl phosphate
CID 144822987
4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenol
CID 23585512
4-[3-(5-amino-3-methylpentyl)phenyl]phenol
CID 82542822
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018

Frequently Asked Questions

What is the IUPAC name of [3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium?
The IUPAC name of [3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium (CID 58907470) is [3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium.
What is the SMILES notation for [3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium?
The canonical SMILES for [3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium is [CH2-][NH2+]Cc1cccc(-c2ccc(O)cc2)c1.
What is the InChIKey of [3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium?
The InChIKey is KQLQURGRVFOART-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-15-10-11-3-2-4-13(9-11)12-5-7-14(16)8-6-12/h2-9,16H,1,10,15H2.
What are the key properties of [3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium?
[3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium has a molecular weight of 213.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-hydroxyphenyl)phenyl]methyl-methanidylazanium is sourced from PubChem (CID 58907470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).