3-[4-[hydroxy(methylamino)methyl]phenyl]phenol

C14H15NO2 — CID 135170284

IUPAC3-[4-[hydroxy(methylamino)methyl]phenyl]phenol
SMILESCNC(O)c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C14H15NO2/c1-15-14(17)11-7-5-10(6-8-11)12-3-2-4-13(16)9-12/h2-9,14-17H,1H3
InChIKeyCLFYDTXXJNSJLJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.27
Rot. Bonds3

About 3-[4-[hydroxy(methylamino)methyl]phenyl]phenol

3-[4-[hydroxy(methylamino)methyl]phenyl]phenol (PubChem CID 135170284) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[4-[hydroxy(methylamino)methyl]phenyl]phenol.

Molecular Properties

Compound Name3-[4-[hydroxy(methylamino)methyl]phenyl]phenol
PubChem CID135170284
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-[4-[hydroxy(methylamino)methyl]phenyl]phenol
SMILESCNC(O)c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C14H15NO2/c1-15-14(17)11-7-5-10(6-8-11)12-3-2-4-13(16)9-12/h2-9,14-17H,1H3
InChIKeyCLFYDTXXJNSJLJ-UHFFFAOYSA-N
XLogP2.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[hydroxy(methylamino)methyl]phenol
CID 14302211
3-(4-hydroxyphenyl)phenol;hydrobromide
CID 153382873
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
1-[4-[3-[hydroxy(methylamino)methyl]phenyl]phenyl]propan-1-one
CID 82540284
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479
octalen-2-ol
CID 174999308
3-(4-chlorophenyl)phenol
CID 3015395
3-[4-(dimethylamino)phenyl]phenol
CID 39231657
3-(3,4,5-trimethylphenyl)phenol
CID 101298838
4-[(R)-hydroxy(methylamino)methyl]benzene-1,2-diol
CID 58060681
3-[4-(aminomethyl)phenyl]phenol
CID 82038924
2-[3-(3-hydroxyphenyl)phenyl]propanoic acid
CID 176514338

Frequently Asked Questions

What is the IUPAC name of 3-[4-[hydroxy(methylamino)methyl]phenyl]phenol?
The IUPAC name of 3-[4-[hydroxy(methylamino)methyl]phenyl]phenol (CID 135170284) is 3-[4-[hydroxy(methylamino)methyl]phenyl]phenol.
What is the SMILES notation for 3-[4-[hydroxy(methylamino)methyl]phenyl]phenol?
The canonical SMILES for 3-[4-[hydroxy(methylamino)methyl]phenyl]phenol is CNC(O)c1ccc(-c2cccc(O)c2)cc1.
What is the InChIKey of 3-[4-[hydroxy(methylamino)methyl]phenyl]phenol?
The InChIKey is CLFYDTXXJNSJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-15-14(17)11-7-5-10(6-8-11)12-3-2-4-13(16)9-12/h2-9,14-17H,1H3.
What are the key properties of 3-[4-[hydroxy(methylamino)methyl]phenyl]phenol?
3-[4-[hydroxy(methylamino)methyl]phenyl]phenol has a molecular weight of 229.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[hydroxy(methylamino)methyl]phenyl]phenol is sourced from PubChem (CID 135170284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).