1-(5-iodopentyl)-5-methoxyindole

C14H18INO — CID 141021512

IUPAC1-(5-iodopentyl)-5-methoxyindole
SMILESCOc1ccc2c(ccn2CCCCCI)c1
InChIInChI=1S/C14H18INO/c1-17-13-5-6-14-12(11-13)7-10-16(14)9-4-2-3-8-15/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyFQZJXRQOUDSMEE-UHFFFAOYSA-N
MW343.21 g/mol
LogP4.26
Rot. Bonds6

About 1-(5-iodopentyl)-5-methoxyindole

1-(5-iodopentyl)-5-methoxyindole (PubChem CID 141021512) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is 1-(5-iodopentyl)-5-methoxyindole.

Molecular Properties

Compound Name1-(5-iodopentyl)-5-methoxyindole
PubChem CID141021512
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC Name1-(5-iodopentyl)-5-methoxyindole
SMILESCOc1ccc2c(ccn2CCCCCI)c1
InChIInChI=1S/C14H18INO/c1-17-13-5-6-14-12(11-13)7-10-16(14)9-4-2-3-8-15/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyFQZJXRQOUDSMEE-UHFFFAOYSA-N
XLogP4.26
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
CID 103413319
1-[4-(4-chlorophenoxy)butyl]-5-methoxyindole
CID 110831449
1-(3-ethylsulfonylpropyl)-5-methoxyindole
CID 116619453
5-methoxy-1-(3-phenoxypropyl)indole
CID 110831444
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344
(1-octylindol-5-yl) hypobromite
CID 23151417
(1-hexylindol-5-yl) hypobromite
CID 23151412
3-(5-methoxyindol-1-yl)propanamide
CID 116619447
5-methoxy-1-methylindole
CID 819864
1-(3-fluoropropyl)-5-propan-2-yloxyindole
CID 116625898
4-(5-propan-2-yloxyindol-1-yl)butan-1-amine
CID 80643163

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodopentyl)-5-methoxyindole?
The IUPAC name of 1-(5-iodopentyl)-5-methoxyindole (CID 141021512) is 1-(5-iodopentyl)-5-methoxyindole.
What is the SMILES notation for 1-(5-iodopentyl)-5-methoxyindole?
The canonical SMILES for 1-(5-iodopentyl)-5-methoxyindole is COc1ccc2c(ccn2CCCCCI)c1.
What is the InChIKey of 1-(5-iodopentyl)-5-methoxyindole?
The InChIKey is FQZJXRQOUDSMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO/c1-17-13-5-6-14-12(11-13)7-10-16(14)9-4-2-3-8-15/h5-7,10-11H,2-4,8-9H2,1H3.
What are the key properties of 1-(5-iodopentyl)-5-methoxyindole?
1-(5-iodopentyl)-5-methoxyindole has a molecular weight of 343.21 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodopentyl)-5-methoxyindole is sourced from PubChem (CID 141021512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).