(5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol

C12H10FIOS — CID 115793727

IUPAC(5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol
SMILESCc1ccc(F)cc1C(O)c1csc(I)c1
InChIInChI=1S/C12H10FIOS/c1-7-2-3-9(13)5-10(7)12(15)8-4-11(14)16-6-8/h2-6,12,15H,1H3
InChIKeyKAAWBWCFAYJGOH-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.88
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol

(5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol (PubChem CID 115793727) has the molecular formula C12H10FIOS and a molecular weight of 348.18 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol
PubChem CID115793727
Molecular FormulaC12H10FIOS
Molecular Weight348.18 g/mol
Exact Mass347.95
IUPAC Name(5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol
SMILESCc1ccc(F)cc1C(O)c1csc(I)c1
InChIInChI=1S/C12H10FIOS/c1-7-2-3-9(13)5-10(7)12(15)8-4-11(14)16-6-8/h2-6,12,15H,1H3
InChIKeyKAAWBWCFAYJGOH-UHFFFAOYSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.88
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

(3-fluoro-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 62789611
(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methanol
CID 55133948
(4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114329952
(5-fluoro-2-methylphenyl)-pyridin-3-ylmethanol
CID 62388574
(4-chloro-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 115793761
4-[bromo-(2,5-difluorophenyl)methyl]-2-iodothiophene
CID 79684552
(5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 79684536
1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol
CID 63895819
(5-fluoro-2-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 63049832
(4-ethylphenyl)-(5-iodothiophen-3-yl)methanol
CID 79684538
2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105050997
(5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol
CID 115796818

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol?
The IUPAC name of (5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol (CID 115793727) is (5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol is Cc1ccc(F)cc1C(O)c1csc(I)c1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol?
The InChIKey is KAAWBWCFAYJGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FIOS/c1-7-2-3-9(13)5-10(7)12(15)8-4-11(14)16-6-8/h2-6,12,15H,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol?
(5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol has a molecular weight of 348.18 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol is sourced from PubChem (CID 115793727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).