4-[3-hydroxy-2-(iodoamino)propyl]phenol

C9H12INO2 — CID 88639035

IUPAC4-[3-hydroxy-2-(iodoamino)propyl]phenol
SMILESOCC(Cc1ccc(O)cc1)NI
InChIInChI=1S/C9H12INO2/c10-11-8(6-12)5-7-1-3-9(13)4-2-7/h1-4,8,11-13H,5-6H2
InChIKeyULMMIZBVZFLSAC-UHFFFAOYSA-N
MW293.10 g/mol
LogP1.24
Rot. Bonds4

About 4-[3-hydroxy-2-(iodoamino)propyl]phenol

4-[3-hydroxy-2-(iodoamino)propyl]phenol (PubChem CID 88639035) has the molecular formula C9H12INO2 and a molecular weight of 293.10 g/mol. Its IUPAC name is 4-[3-hydroxy-2-(iodoamino)propyl]phenol.

Molecular Properties

Compound Name4-[3-hydroxy-2-(iodoamino)propyl]phenol
PubChem CID88639035
Molecular FormulaC9H12INO2
Molecular Weight293.10 g/mol
Exact Mass292.99
IUPAC Name4-[3-hydroxy-2-(iodoamino)propyl]phenol
SMILESOCC(Cc1ccc(O)cc1)NI
InChIInChI=1S/C9H12INO2/c10-11-8(6-12)5-7-1-3-9(13)4-2-7/h1-4,8,11-13H,5-6H2
InChIKeyULMMIZBVZFLSAC-UHFFFAOYSA-N
XLogP1.24
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226
4-[(2S)-3-hydroxy-2-[[(3R)-thiolan-3-yl]amino]propyl]phenol
CID 99830890
(2S)-3-[4-(4-hydroxyphenoxy)phenyl]-2-(iodoamino)propanoic acid
CID 22833547
2-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 83529884
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 61245571
2-fluoro-6-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]amino]benzonitrile
CID 100679768
4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol
CID 61240678
4-[2-hydroxy-2-(methylamino)ethyl]phenol
CID 90457201
4-chloro-2,5-difluoro-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide
CID 122147380
N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide
CID 13286134
6-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]amino]quinoxaline-5,8-dione
CID 67618510

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-2-(iodoamino)propyl]phenol?
The IUPAC name of 4-[3-hydroxy-2-(iodoamino)propyl]phenol (CID 88639035) is 4-[3-hydroxy-2-(iodoamino)propyl]phenol.
What is the SMILES notation for 4-[3-hydroxy-2-(iodoamino)propyl]phenol?
The canonical SMILES for 4-[3-hydroxy-2-(iodoamino)propyl]phenol is OCC(Cc1ccc(O)cc1)NI.
What is the InChIKey of 4-[3-hydroxy-2-(iodoamino)propyl]phenol?
The InChIKey is ULMMIZBVZFLSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO2/c10-11-8(6-12)5-7-1-3-9(13)4-2-7/h1-4,8,11-13H,5-6H2.
What are the key properties of 4-[3-hydroxy-2-(iodoamino)propyl]phenol?
4-[3-hydroxy-2-(iodoamino)propyl]phenol has a molecular weight of 293.10 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-2-(iodoamino)propyl]phenol is sourced from PubChem (CID 88639035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).