(4-amino-3-iodophenyl)methanol

C7H8INO — CID 22724559

IUPAC(4-amino-3-iodophenyl)methanol
SMILESNc1ccc(CO)cc1I
InChIInChI=1S/C7H8INO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4,9H2
InChIKeyOBPHUCIBYQGQDK-UHFFFAOYSA-N
MW249.05 g/mol
LogP1.37
Rot. Bonds1

About (4-amino-3-iodophenyl)methanol

(4-amino-3-iodophenyl)methanol (PubChem CID 22724559) has the molecular formula C7H8INO and a molecular weight of 249.05 g/mol. Its IUPAC name is (4-amino-3-iodophenyl)methanol.

Molecular Properties

Compound Name(4-amino-3-iodophenyl)methanol
PubChem CID22724559
Molecular FormulaC7H8INO
Molecular Weight249.05 g/mol
Exact Mass248.97
IUPAC Name(4-amino-3-iodophenyl)methanol
SMILESNc1ccc(CO)cc1I
InChIInChI=1S/C7H8INO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4,9H2
InChIKeyOBPHUCIBYQGQDK-UHFFFAOYSA-N
XLogP1.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3,4-diaminophenyl)methanol;hydrochloride
CID 174554686
(3,4-diaminophenyl)methanol;dihydrochloride
CID 24721578
3-(4-amino-3-iodophenyl)propanoic acid
CID 11369803
methyl 2-(4-amino-3-iodophenyl)acetate
CID 46941390
2-amino-4-(hydroxymethyl)phenol
CID 12000270
2-[4-(hydroxymethyl)-2-iodophenyl]acetamide
CID 23106503
[4-(bromomethyl)-3-iodophenyl]methanol
CID 58361847
(3,4,5-triiodophenyl)methanol
CID 53401071
4-amino-3-iodophenol;hydrochloride
CID 86775296
CID 155601557
CID 155601557
[6-(hydroxymethyl)naphthalen-2-yl]methanol
CID 11788722
[3-amino-4-(2-aminophenyl)phenyl]methanol
CID 68789508

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-iodophenyl)methanol?
The IUPAC name of (4-amino-3-iodophenyl)methanol (CID 22724559) is (4-amino-3-iodophenyl)methanol.
What is the SMILES notation for (4-amino-3-iodophenyl)methanol?
The canonical SMILES for (4-amino-3-iodophenyl)methanol is Nc1ccc(CO)cc1I.
What is the InChIKey of (4-amino-3-iodophenyl)methanol?
The InChIKey is OBPHUCIBYQGQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4,9H2.
What are the key properties of (4-amino-3-iodophenyl)methanol?
(4-amino-3-iodophenyl)methanol has a molecular weight of 249.05 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-iodophenyl)methanol is sourced from PubChem (CID 22724559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).