3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol

C14H13IO2S — CID 79684302

IUPAC3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol
SMILESOC(c1csc(I)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H13IO2S/c15-13-7-11(8-18-13)14(16)10-3-4-12-9(6-10)2-1-5-17-12/h3-4,6-8,14,16H,1-2,5H2
InChIKeyIRNGWABLFUJCND-UHFFFAOYSA-N
MW372.23 g/mol
LogP3.76
Rot. Bonds2

About 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol

3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol (PubChem CID 79684302) has the molecular formula C14H13IO2S and a molecular weight of 372.23 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol
PubChem CID79684302
Molecular FormulaC14H13IO2S
Molecular Weight372.23 g/mol
Exact Mass371.97
IUPAC Name3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol
SMILESOC(c1csc(I)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H13IO2S/c15-13-7-11(8-18-13)14(16)10-3-4-12-9(6-10)2-1-5-17-12/h3-4,6-8,14,16H,1-2,5H2
InChIKeyIRNGWABLFUJCND-UHFFFAOYSA-N
XLogP3.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine
CID 79693199
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691303
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone
CID 79685466
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955595
(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 61080782
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(5-iodothiophen-3-yl)methanol
CID 79683741
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253
7-[chloro-(5-iodothiophen-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 79684711
3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
CID 61080777
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
6-[chloro-(3-chloro-4-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 103210760

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol (CID 79684302) is 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol is OC(c1csc(I)c1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol?
The InChIKey is IRNGWABLFUJCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO2S/c15-13-7-11(8-18-13)14(16)10-3-4-12-9(6-10)2-1-5-17-12/h3-4,6-8,14,16H,1-2,5H2.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol?
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol has a molecular weight of 372.23 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol is sourced from PubChem (CID 79684302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).