[5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol

C14H13ClINO — CID 22225995

IUPAC[5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol
SMILESCc1cc(I)ccc1Nc1ccc(Cl)cc1CO
InChIInChI=1S/C14H13ClINO/c1-9-6-12(16)3-5-13(9)17-14-4-2-11(15)7-10(14)8-18/h2-7,17-18H,8H2,1H3
InChIKeyKARCBUCWSFRWNA-UHFFFAOYSA-N
MW373.62 g/mol
LogP4.49
Rot. Bonds3

About [5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol

[5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol (PubChem CID 22225995) has the molecular formula C14H13ClINO and a molecular weight of 373.62 g/mol. Its IUPAC name is [5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol
PubChem CID22225995
Molecular FormulaC14H13ClINO
Molecular Weight373.62 g/mol
Exact Mass372.97
IUPAC Name[5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol
SMILESCc1cc(I)ccc1Nc1ccc(Cl)cc1CO
InChIInChI=1S/C14H13ClINO/c1-9-6-12(16)3-5-13(9)17-14-4-2-11(15)7-10(14)8-18/h2-7,17-18H,8H2,1H3
InChIKeyKARCBUCWSFRWNA-UHFFFAOYSA-N
XLogP4.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.62
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol
CID 82087006
2-[4-chloro-2-(hydroxymethyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168606276
5-iodo-2-(4-iodo-2-methylanilino)benzamide
CID 142657189
1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine
CID 107634251
2,5-dichloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
CID 4593422
1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol
CID 174440722
4-chloro-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide
CID 1334183
4-chloro-N-(4-iodo-2-methylphenyl)pyridine-2-carboxamide
CID 60656369
N-[3-(4-chlorophenyl)cyclobutyl]-4-iodo-2-methylaniline
CID 43717158
4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline
CID 70952158
3-chloro-1-(4-chlorophenyl)-4-(4-iodo-2-methylanilino)pyrrole-2,5-dione
CID 1192250
4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47104375

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol?
The IUPAC name of [5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol (CID 22225995) is [5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol is Cc1cc(I)ccc1Nc1ccc(Cl)cc1CO.
What is the InChIKey of [5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol?
The InChIKey is KARCBUCWSFRWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClINO/c1-9-6-12(16)3-5-13(9)17-14-4-2-11(15)7-10(14)8-18/h2-7,17-18H,8H2,1H3.
What are the key properties of [5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol?
[5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol has a molecular weight of 373.62 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol is sourced from PubChem (CID 22225995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).