2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol

C14H15NO2 — CID 105486543

IUPAC2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol
SMILESCc1ccc(C(O)c2cccc(O)c2N)cc1
InChIInChI=1S/C14H15NO2/c1-9-5-7-10(8-6-9)14(17)11-3-2-4-12(16)13(11)15/h2-8,14,16-17H,15H2,1H3
InChIKeyFSWIIWCUJOSIHH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.36
Rot. Bonds2

About 2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol

2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol (PubChem CID 105486543) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol
PubChem CID105486543
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol
SMILESCc1ccc(C(O)c2cccc(O)c2N)cc1
InChIInChI=1S/C14H15NO2/c1-9-5-7-10(8-6-9)14(17)11-3-2-4-12(16)13(11)15/h2-8,14,16-17H,15H2,1H3
InChIKeyFSWIIWCUJOSIHH-UHFFFAOYSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3-methylphenyl)-(4-methylphenyl)methanol
CID 105484724
(S)-(2-aminophenyl)-(4-methylphenyl)methanol
CID 40526253
2-amino-3-(1-hydroxyethyl)phenol
CID 21298381
(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
(R)-(2-chlorophenyl)-(4-methylphenyl)methanol
CID 7107251
(R)-(3-amino-2-methylphenyl)-(4-phenylphenyl)methanol
CID 100804157
(2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol
CID 107469517
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793
3-[hydroxy-(4-methylphenyl)methyl]-1H-pyridine-2-thione
CID 3792912
(2-amino-3-fluorophenyl)-phenylmethanol
CID 105470844
2-amino-4-ethyl-6-[hydroxy-(4-methylphenyl)methyl]phenol
CID 70555813
(5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol
CID 65362027

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol?
The IUPAC name of 2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol (CID 105486543) is 2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol.
What is the SMILES notation for 2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol?
The canonical SMILES for 2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol is Cc1ccc(C(O)c2cccc(O)c2N)cc1.
What is the InChIKey of 2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol?
The InChIKey is FSWIIWCUJOSIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-5-7-10(8-6-9)14(17)11-3-2-4-12(16)13(11)15/h2-8,14,16-17H,15H2,1H3.
What are the key properties of 2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol?
2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol has a molecular weight of 229.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[hydroxy-(4-methylphenyl)methyl]phenol is sourced from PubChem (CID 105486543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).