[1-[(3-iodophenyl)methyl]indol-3-yl]methanol

C16H14INO — CID 52950959

IUPAC[1-[(3-iodophenyl)methyl]indol-3-yl]methanol
SMILESOCc1cn(Cc2cccc(I)c2)c2ccccc12
InChIInChI=1S/C16H14INO/c17-14-5-3-4-12(8-14)9-18-10-13(11-19)15-6-1-2-7-16(15)18/h1-8,10,19H,9,11H2
InChIKeyKYPABYPJWCSNLJ-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.79
Rot. Bonds3

About [1-[(3-iodophenyl)methyl]indol-3-yl]methanol

[1-[(3-iodophenyl)methyl]indol-3-yl]methanol (PubChem CID 52950959) has the molecular formula C16H14INO and a molecular weight of 363.20 g/mol. Its IUPAC name is [1-[(3-iodophenyl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3-iodophenyl)methyl]indol-3-yl]methanol
PubChem CID52950959
Molecular FormulaC16H14INO
Molecular Weight363.20 g/mol
Exact Mass363.01
IUPAC Name[1-[(3-iodophenyl)methyl]indol-3-yl]methanol
SMILESOCc1cn(Cc2cccc(I)c2)c2ccccc12
InChIInChI=1S/C16H14INO/c17-14-5-3-4-12(8-14)9-18-10-13(11-19)15-6-1-2-7-16(15)18/h1-8,10,19H,9,11H2
InChIKeyKYPABYPJWCSNLJ-UHFFFAOYSA-N
XLogP3.79
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Indole-3-Carbinol
CID 3712
N-methoxyindole-3-carbinol
CID 398553
Flutroline
CID 51174
(1-methyl-1H-indol-4-yl)methanol
CID 17608739
4-(Hydroxymethyl)quinoline
CID 80479
Indole, 14
CID 44473055
1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethanol
CID 3599332
3-(1-benzyl-1H-indol-3-yl)propan-1-ol
CID 2053700
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
2-(1-phenyl-1H-indol-3-yl)ethan-1-ol
CID 775713
3-(1-phenyl-1H-indol-3-yl)-1-propanol
CID 2055004
1H-indol-4-ylmethanol
CID 2773457

Frequently Asked Questions

What is the IUPAC name of [1-[(3-iodophenyl)methyl]indol-3-yl]methanol?
The IUPAC name of [1-[(3-iodophenyl)methyl]indol-3-yl]methanol (CID 52950959) is [1-[(3-iodophenyl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[(3-iodophenyl)methyl]indol-3-yl]methanol?
The canonical SMILES for [1-[(3-iodophenyl)methyl]indol-3-yl]methanol is OCc1cn(Cc2cccc(I)c2)c2ccccc12.
What is the InChIKey of [1-[(3-iodophenyl)methyl]indol-3-yl]methanol?
The InChIKey is KYPABYPJWCSNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO/c17-14-5-3-4-12(8-14)9-18-10-13(11-19)15-6-1-2-7-16(15)18/h1-8,10,19H,9,11H2.
What are the key properties of [1-[(3-iodophenyl)methyl]indol-3-yl]methanol?
[1-[(3-iodophenyl)methyl]indol-3-yl]methanol has a molecular weight of 363.20 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-iodophenyl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 52950959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).