(4-ethylphenyl)-(5-iodothiophen-3-yl)methanol

C13H13IOS — CID 79684538

IUPAC(4-ethylphenyl)-(5-iodothiophen-3-yl)methanol
SMILESCCc1ccc(C(O)c2csc(I)c2)cc1
InChIInChI=1S/C13H13IOS/c1-2-9-3-5-10(6-4-9)13(15)11-7-12(14)16-8-11/h3-8,13,15H,2H2,1H3
InChIKeyOWJMRDSFQCGYEY-UHFFFAOYSA-N
MW344.22 g/mol
LogP4.00
Rot. Bonds3

About (4-ethylphenyl)-(5-iodothiophen-3-yl)methanol

(4-ethylphenyl)-(5-iodothiophen-3-yl)methanol (PubChem CID 79684538) has the molecular formula C13H13IOS and a molecular weight of 344.22 g/mol. Its IUPAC name is (4-ethylphenyl)-(5-iodothiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-ethylphenyl)-(5-iodothiophen-3-yl)methanol
PubChem CID79684538
Molecular FormulaC13H13IOS
Molecular Weight344.22 g/mol
Exact Mass343.97
IUPAC Name(4-ethylphenyl)-(5-iodothiophen-3-yl)methanol
SMILESCCc1ccc(C(O)c2csc(I)c2)cc1
InChIInChI=1S/C13H13IOS/c1-2-9-3-5-10(6-4-9)13(15)11-7-12(14)16-8-11/h3-8,13,15H,2H2,1H3
InChIKeyOWJMRDSFQCGYEY-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 54.00
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

(2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol
CID 79684303
(5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol
CID 115796818
N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 115803429
[4-(difluoromethyl)phenyl]-(4-ethylphenyl)methanol
CID 115524847
(5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 79684536
(3,5-dichlorophenyl)-(4-ethylphenyl)methanol
CID 61087745
(4-ethylphenyl)-thiophen-2-ylmethanol
CID 61104575
(2,6-dimethyl-4-pyridinyl)-(4-ethylphenyl)methanol
CID 107502814
(5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol
CID 115793727
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol
CID 79683741
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
(2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol
CID 79684219

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(5-iodothiophen-3-yl)methanol?
The IUPAC name of (4-ethylphenyl)-(5-iodothiophen-3-yl)methanol (CID 79684538) is (4-ethylphenyl)-(5-iodothiophen-3-yl)methanol.
What is the SMILES notation for (4-ethylphenyl)-(5-iodothiophen-3-yl)methanol?
The canonical SMILES for (4-ethylphenyl)-(5-iodothiophen-3-yl)methanol is CCc1ccc(C(O)c2csc(I)c2)cc1.
What is the InChIKey of (4-ethylphenyl)-(5-iodothiophen-3-yl)methanol?
The InChIKey is OWJMRDSFQCGYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IOS/c1-2-9-3-5-10(6-4-9)13(15)11-7-12(14)16-8-11/h3-8,13,15H,2H2,1H3.
What are the key properties of (4-ethylphenyl)-(5-iodothiophen-3-yl)methanol?
(4-ethylphenyl)-(5-iodothiophen-3-yl)methanol has a molecular weight of 344.22 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(5-iodothiophen-3-yl)methanol is sourced from PubChem (CID 79684538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).