4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol

C10H14INO3 — CID 170891887

IUPAC4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol
SMILESCOc1cc(CC(N)CO)cc(I)c1O
InChIInChI=1S/C10H14INO3/c1-15-9-4-6(2-7(12)5-13)3-8(11)10(9)14/h3-4,7,13-14H,2,5,12H2,1H3
InChIKeyJIKAFBOFOSVHSL-UHFFFAOYSA-N
MW323.13 g/mol
LogP0.87
Rot. Bonds4

About 4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol

4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol (PubChem CID 170891887) has the molecular formula C10H14INO3 and a molecular weight of 323.13 g/mol. Its IUPAC name is 4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol.

Molecular Properties

Compound Name4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol
PubChem CID170891887
Molecular FormulaC10H14INO3
Molecular Weight323.13 g/mol
Exact Mass323.00
IUPAC Name4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol
SMILESCOc1cc(CC(N)CO)cc(I)c1O
InChIInChI=1S/C10H14INO3/c1-15-9-4-6(2-7(12)5-13)3-8(11)10(9)14/h3-4,7,13-14H,2,5,12H2,1H3
InChIKeyJIKAFBOFOSVHSL-UHFFFAOYSA-N
XLogP0.87
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol
CID 141408194
2-amino-3-(3,5-dimethoxyphenyl)propan-1-ol
CID 21398979
2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride
CID 170891993
2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride
CID 170893167
4-[(1R)-1,2-diaminoethyl]-2-iodo-6-methoxyphenol
CID 131213942
4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride
CID 170889186
4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol
CID 170865187
2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol
CID 170892877
5-(2-amino-3-hydroxypropyl)benzene-1,2,3-triol;hydrochloride
CID 170891858
4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;hydrochloride
CID 91885407
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol?
The IUPAC name of 4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol (CID 170891887) is 4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol.
What is the SMILES notation for 4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol?
The canonical SMILES for 4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol is COc1cc(CC(N)CO)cc(I)c1O.
What is the InChIKey of 4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol?
The InChIKey is JIKAFBOFOSVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO3/c1-15-9-4-6(2-7(12)5-13)3-8(11)10(9)14/h3-4,7,13-14H,2,5,12H2,1H3.
What are the key properties of 4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol?
4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol has a molecular weight of 323.13 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol is sourced from PubChem (CID 170891887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).