1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol

C24H36INO — CID 140560579

IUPAC1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol
SMILESOC1(c2[nH]c3ccccc3c2I)CCCCCCCCCCCCCCC1
InChIInChI=1S/C24H36INO/c25-22-20-16-12-13-17-21(20)26-23(22)24(27)18-14-10-8-6-4-2-1-3-5-7-9-11-15-19-24/h12-13,16-17,26-27H,1-11,14-15,18-19H2
InChIKeyDTXUZWZZNFRNJF-UHFFFAOYSA-N
MW481.46 g/mol
LogP7.83
Rot. Bonds1

About 1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol

1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol (PubChem CID 140560579) has the molecular formula C24H36INO and a molecular weight of 481.46 g/mol. Its IUPAC name is 1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol.

Molecular Properties

Compound Name1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol
PubChem CID140560579
Molecular FormulaC24H36INO
Molecular Weight481.46 g/mol
Exact Mass481.18
IUPAC Name1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol
SMILESOC1(c2[nH]c3ccccc3c2I)CCCCCCCCCCCCCCC1
InChIInChI=1S/C24H36INO/c25-22-20-16-12-13-17-21(20)26-23(22)24(27)18-14-10-8-6-4-2-1-3-5-7-9-11-15-19-24/h12-13,16-17,26-27H,1-11,14-15,18-19H2
InChIKeyDTXUZWZZNFRNJF-UHFFFAOYSA-N
XLogP7.83
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.46
LogP ≤ 57.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
CID 10083666
1-(1H-pyrrol-2-yl)cyclohexan-1-ol
CID 91037758
1-(2-iodophenyl)cyclohexan-1-ol
CID 91620126
(3R)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylic acid
CID 6919140
methyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,1'-cyclopentane]-3-carboxylate
CID 3277949
1,1-difluoro-2,3,4,9-tetrahydrocarbazole
CID 68954030
copper;1-phenylcyclohexan-1-ol
CID 174727157
2-benzoylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylic acid
CID 146036440
1-(1-methylcyclohexyl)-9H-carbazole
CID 173176825
9H-carbazole
CID 66668984
acetic acid;spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylic acid
CID 44667494
3-iodo-1H-indole-2-carbonitrile
CID 11043753

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol?
The IUPAC name of 1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol (CID 140560579) is 1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol.
What is the SMILES notation for 1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol?
The canonical SMILES for 1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol is OC1(c2[nH]c3ccccc3c2I)CCCCCCCCCCCCCCC1.
What is the InChIKey of 1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol?
The InChIKey is DTXUZWZZNFRNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36INO/c25-22-20-16-12-13-17-21(20)26-23(22)24(27)18-14-10-8-6-4-2-1-3-5-7-9-11-15-19-24/h12-13,16-17,26-27H,1-11,14-15,18-19H2.
What are the key properties of 1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol?
1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol has a molecular weight of 481.46 g/mol, XLogP of 7.83, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-1H-indol-2-yl)cyclohexadecan-1-ol is sourced from PubChem (CID 140560579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).