1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol

C9H13IOS — CID 130361043

IUPAC1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1sccc1I
InChIInChI=1S/C9H13IOS/c1-6(2)5-8(11)9-7(10)3-4-12-9/h3-4,6,8,11H,5H2,1-2H3
InChIKeyTURWHASTSPVWFA-UHFFFAOYSA-N
MW296.17 g/mol
LogP3.43
Rot. Bonds3

About 1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol

1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol (PubChem CID 130361043) has the molecular formula C9H13IOS and a molecular weight of 296.17 g/mol. Its IUPAC name is 1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol
PubChem CID130361043
Molecular FormulaC9H13IOS
Molecular Weight296.17 g/mol
Exact Mass295.97
IUPAC Name1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1sccc1I
InChIInChI=1S/C9H13IOS/c1-6(2)5-8(11)9-7(10)3-4-12-9/h3-4,6,8,11H,5H2,1-2H3
InChIKeyTURWHASTSPVWFA-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 53.43
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

1-(3-iodothiophen-2-yl)ethanamine
CID 130160720
3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 65148368
1-(3-ethylthiophen-2-yl)-3-methylpentan-1-ol
CID 115789383
3-methyl-2-(4-methylpentan-2-yl)thiophene
CID 58489062
3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 82927974
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
CID 103407802
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine
CID 43775777
2,3-diiodothiophene
CID 630668
1-(3-iodothiophen-2-yl)but-3-en-1-amine
CID 130160724
(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861
[3-(1-hydroxyethyl)thiophen-2-yl]methanediol
CID 20712579
1-(3-ethylthiophen-2-yl)-N,3-dimethylbutan-1-amine
CID 115782273

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol?
The IUPAC name of 1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol (CID 130361043) is 1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol is CC(C)CC(O)c1sccc1I.
What is the InChIKey of 1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol?
The InChIKey is TURWHASTSPVWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IOS/c1-6(2)5-8(11)9-7(10)3-4-12-9/h3-4,6,8,11H,5H2,1-2H3.
What are the key properties of 1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol?
1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol has a molecular weight of 296.17 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 130361043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).