1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol

C15H14BrClINO2 — CID 107606464

IUPAC1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol
SMILESOC(CNc1ccc(I)cc1Cl)COc1ccc(Br)cc1
InChIInChI=1S/C15H14BrClINO2/c16-10-1-4-13(5-2-10)21-9-12(20)8-19-15-6-3-11(18)7-14(15)17/h1-7,12,19-20H,8-9H2
InChIKeyNAPMBDWCOYLTLC-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.56
Rot. Bonds6

About 1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol

1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol (PubChem CID 107606464) has the molecular formula C15H14BrClINO2 and a molecular weight of 482.54 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol
PubChem CID107606464
Molecular FormulaC15H14BrClINO2
Molecular Weight482.54 g/mol
Exact Mass480.89
IUPAC Name1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol
SMILESOC(CNc1ccc(I)cc1Cl)COc1ccc(Br)cc1
InChIInChI=1S/C15H14BrClINO2/c16-10-1-4-13(5-2-10)21-9-12(20)8-19-15-6-3-11(18)7-14(15)17/h1-7,12,19-20H,8-9H2
InChIKeyNAPMBDWCOYLTLC-UHFFFAOYSA-N
XLogP4.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-iodoanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 107606298
1-(4-bromophenoxy)-3-(5-chloro-2-fluoroanilino)propan-2-ol
CID 60909858
1-(5-bromo-2-chloroanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 63490723
1-(4-bromophenoxy)-3-(5-chloro-2-methylanilino)propan-2-ol
CID 63488071
1-(5-bromo-2-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 63488376
1-(2-bromo-5-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 107635766
1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol
CID 60898264
1-(2-chloro-4-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60900392
1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol
CID 81270786
1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60900397
1-(4-bromophenoxy)-3-(2-ethylanilino)propan-2-ol
CID 60721029
1-(5-bromo-2-methylanilino)-3-phenoxypropan-2-ol
CID 60910317

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol (CID 107606464) is 1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol is OC(CNc1ccc(I)cc1Cl)COc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol?
The InChIKey is NAPMBDWCOYLTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClINO2/c16-10-1-4-13(5-2-10)21-9-12(20)8-19-15-6-3-11(18)7-14(15)17/h1-7,12,19-20H,8-9H2.
What are the key properties of 1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol?
1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol has a molecular weight of 482.54 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol is sourced from PubChem (CID 107606464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).