(2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol

C15H17IOS — CID 79684303

IUPAC(2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol
SMILESCCc1ccc(CC)c(C(O)c2csc(I)c2)c1
InChIInChI=1S/C15H17IOS/c1-3-10-5-6-11(4-2)13(7-10)15(17)12-8-14(16)18-9-12/h5-9,15,17H,3-4H2,1-2H3
InChIKeyTXDANBQCVCCEDK-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.56
Rot. Bonds4

About (2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol

(2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol (PubChem CID 79684303) has the molecular formula C15H17IOS and a molecular weight of 372.27 g/mol. Its IUPAC name is (2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol
PubChem CID79684303
Molecular FormulaC15H17IOS
Molecular Weight372.27 g/mol
Exact Mass372.00
IUPAC Name(2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol
SMILESCCc1ccc(CC)c(C(O)c2csc(I)c2)c1
InChIInChI=1S/C15H17IOS/c1-3-10-5-6-11(4-2)13(7-10)15(17)12-8-14(16)18-9-12/h5-9,15,17H,3-4H2,1-2H3
InChIKeyTXDANBQCVCCEDK-UHFFFAOYSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.56
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

(4-ethylphenyl)-(5-iodothiophen-3-yl)methanol
CID 79684538
N-[(2,5-diethylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691318
(3-bromo-4-chlorophenyl)-(2,5-diethylphenyl)methanol
CID 107991251
(3-bromo-5-chlorophenyl)-(2,5-diethylphenyl)methanol
CID 107955643
(5-fluoro-2-methylphenyl)-(5-iodothiophen-3-yl)methanol
CID 115793727
N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine
CID 107961012
1-amino-4-(2,5-diethylphenyl)pentan-2-ol
CID 83921003
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
(5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 79684536
(2,5-dimethoxyphenyl)-(5-iodothiophen-3-yl)methanol
CID 79684219
N-[(3,4-diethylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 115482360
methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117318188

Frequently Asked Questions

What is the IUPAC name of (2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol?
The IUPAC name of (2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol (CID 79684303) is (2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol.
What is the SMILES notation for (2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol?
The canonical SMILES for (2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol is CCc1ccc(CC)c(C(O)c2csc(I)c2)c1.
What is the InChIKey of (2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol?
The InChIKey is TXDANBQCVCCEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IOS/c1-3-10-5-6-11(4-2)13(7-10)15(17)12-8-14(16)18-9-12/h5-9,15,17H,3-4H2,1-2H3.
What are the key properties of (2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol?
(2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol has a molecular weight of 372.27 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol is sourced from PubChem (CID 79684303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).