2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol

C24H28N2O3 — CID 155229227

IUPAC2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol
SMILESOc1cccc(NCCC(O)c2ccccc2)c1NCCC(O)c1ccccc1
InChIInChI=1S/C24H28N2O3/c27-21(18-8-3-1-4-9-18)14-16-25-20-12-7-13-23(29)24(20)26-17-15-22(28)19-10-5-2-6-11-19/h1-13,21-22,25-29H,14-17H2
InChIKeyBOHHXGXDIXCWKQ-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.46
Rot. Bonds10

About 2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol

2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol (PubChem CID 155229227) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol.

Molecular Properties

Compound Name2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol
PubChem CID155229227
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol
SMILESOc1cccc(NCCC(O)c2ccccc2)c1NCCC(O)c1ccccc1
InChIInChI=1S/C24H28N2O3/c27-21(18-8-3-1-4-9-18)14-16-25-20-12-7-13-23(29)24(20)26-17-15-22(28)19-10-5-2-6-11-19/h1-13,21-22,25-29H,14-17H2
InChIKeyBOHHXGXDIXCWKQ-UHFFFAOYSA-N
XLogP4.46
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyanilino)-1-phenylpropan-1-ol
CID 112510625
1,4,4-triphenylbutan-1-ol
CID 141326006
2,3-bis(octylamino)phenol
CID 67224440
(1R)-3-(3,4-dimethylanilino)-1-phenylpropan-1-ol
CID 94271417
(1S)-1-(4-methoxyphenyl)-3-(2-methylanilino)propan-1-ol
CID 94281332
2,3-bis(2-hydroxypropylamino)phenol
CID 155229182
3-amino-1-phenylpropan-1-ol;hydrochloride
CID 13013905
(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
CID 71743708
2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide
CID 97014799
(1R)-1-phenyl-3-(2-phenylethylamino)propan-1-ol
CID 94271411
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
1-phenylpropane-1,3-diol
CID 572059

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol?
The IUPAC name of 2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol (CID 155229227) is 2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol.
What is the SMILES notation for 2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol?
The canonical SMILES for 2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol is Oc1cccc(NCCC(O)c2ccccc2)c1NCCC(O)c1ccccc1.
What is the InChIKey of 2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol?
The InChIKey is BOHHXGXDIXCWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-21(18-8-3-1-4-9-18)14-16-25-20-12-7-13-23(29)24(20)26-17-15-22(28)19-10-5-2-6-11-19/h1-13,21-22,25-29H,14-17H2.
What are the key properties of 2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol?
2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol has a molecular weight of 392.50 g/mol, XLogP of 4.46, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(3-hydroxy-3-phenylpropyl)amino]phenol is sourced from PubChem (CID 155229227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).