(3-chlorothiophen-2-yl)-(4-iodophenyl)methanol

C11H8ClIOS — CID 80530245

IUPAC(3-chlorothiophen-2-yl)-(4-iodophenyl)methanol
SMILESOC(c1ccc(I)cc1)c1sccc1Cl
InChIInChI=1S/C11H8ClIOS/c12-9-5-6-15-11(9)10(14)7-1-3-8(13)4-2-7/h1-6,10,14H
InChIKeyHFVSLQUWKUPOEP-UHFFFAOYSA-N
MW350.61 g/mol
LogP4.09
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(4-iodophenyl)methanol

(3-chlorothiophen-2-yl)-(4-iodophenyl)methanol (PubChem CID 80530245) has the molecular formula C11H8ClIOS and a molecular weight of 350.61 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(4-iodophenyl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(4-iodophenyl)methanol
PubChem CID80530245
Molecular FormulaC11H8ClIOS
Molecular Weight350.61 g/mol
Exact Mass349.90
IUPAC Name(3-chlorothiophen-2-yl)-(4-iodophenyl)methanol
SMILESOC(c1ccc(I)cc1)c1sccc1Cl
InChIInChI=1S/C11H8ClIOS/c12-9-5-6-15-11(9)10(14)7-1-3-8(13)4-2-7/h1-6,10,14H
InChIKeyHFVSLQUWKUPOEP-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.61
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(4-iodophenyl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(4-iodophenyl)methanol (CID 80530245) is (3-chlorothiophen-2-yl)-(4-iodophenyl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(4-iodophenyl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(4-iodophenyl)methanol is OC(c1ccc(I)cc1)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(4-iodophenyl)methanol?
The InChIKey is HFVSLQUWKUPOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClIOS/c12-9-5-6-15-11(9)10(14)7-1-3-8(13)4-2-7/h1-6,10,14H.
What are the key properties of (3-chlorothiophen-2-yl)-(4-iodophenyl)methanol?
(3-chlorothiophen-2-yl)-(4-iodophenyl)methanol has a molecular weight of 350.61 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(4-iodophenyl)methanol is sourced from PubChem (CID 80530245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).