1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol

C15H10ClIOS — CID 103210159

IUPAC1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol
SMILESOC(c1ccc(I)c(Cl)c1)c1csc2ccccc12
InChIInChI=1S/C15H10ClIOS/c16-12-7-9(5-6-13(12)17)15(18)11-8-19-14-4-2-1-3-10(11)14/h1-8,15,18H
InChIKeyMIYFAHKZNPNUPH-UHFFFAOYSA-N
MW400.67 g/mol
LogP5.24
Rot. Bonds2

About 1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol

1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol (PubChem CID 103210159) has the molecular formula C15H10ClIOS and a molecular weight of 400.67 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol
PubChem CID103210159
Molecular FormulaC15H10ClIOS
Molecular Weight400.67 g/mol
Exact Mass399.92
IUPAC Name1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol
SMILESOC(c1ccc(I)c(Cl)c1)c1csc2ccccc12
InChIInChI=1S/C15H10ClIOS/c16-12-7-9(5-6-13(12)17)15(18)11-8-19-14-4-2-1-3-10(11)14/h1-8,15,18H
InChIKeyMIYFAHKZNPNUPH-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.67
LogP ≤ 55.24
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-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol
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CID 61088943
1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol
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1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol
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1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol
CID 61088560
1-benzothiophen-3-yl(1H-indol-5-yl)methanol
CID 81437486
[2-(1-benzothiophen-3-yl)-1-(3-chloro-4-iodophenyl)ethyl]hydrazine
CID 103217331
1-benzothiophen-3-yl-(3-bromo-4-methoxyphenyl)methanol
CID 61088025
(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol
CID 103216864
1-benzothiophen-3-yl(pyridin-3-yl)methanol
CID 61087457
1-benzothiophen-3-yl-(7-chloro-1-benzofuran-2-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol?
The IUPAC name of 1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol (CID 103210159) is 1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol is OC(c1ccc(I)c(Cl)c1)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol?
The InChIKey is MIYFAHKZNPNUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIOS/c16-12-7-9(5-6-13(12)17)15(18)11-8-19-14-4-2-1-3-10(11)14/h1-8,15,18H.
What are the key properties of 1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol?
1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol has a molecular weight of 400.67 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol is sourced from PubChem (CID 103210159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).