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

C14H11IO2S — CID 79685466

IUPAC3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H11IO2S/c15-13-7-11(8-18-13)14(16)10-3-4-12-9(6-10)2-1-5-17-12/h3-4,6-8H,1-2,5H2
InChIKeyRVLRMSNYWBFCNI-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.91
Rot. Bonds2

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

3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone (PubChem CID 79685466) has the molecular formula C14H11IO2S and a molecular weight of 370.21 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone
PubChem CID79685466
Molecular FormulaC14H11IO2S
Molecular Weight370.21 g/mol
Exact Mass369.95
IUPAC Name3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H11IO2S/c15-13-7-11(8-18-13)14(16)10-3-4-12-9(6-10)2-1-5-17-12/h3-4,6-8H,1-2,5H2
InChIKeyRVLRMSNYWBFCNI-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.91
H-Bond Donors ≤ 50
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-(3,4,5-trifluorophenyl)methanone
CID 63187549
3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone
CID 54908650
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol
CID 79684302
2,2-dichloro-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 116827170
3,4-dihydro-2H-chromen-6-yl-(2,4,6-trifluorophenyl)methanone
CID 65101149
(3-bromophenyl)-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
CID 10088060
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine
CID 79693199
3,4-dihydro-2H-chromen-6-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151786
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
3-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-3-oxopropanoic acid
CID 116918231
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760
1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone (CID 79685466) is 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone?
The InChIKey is RVLRMSNYWBFCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO2S/c15-13-7-11(8-18-13)14(16)10-3-4-12-9(6-10)2-1-5-17-12/h3-4,6-8H,1-2,5H2.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone?
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanone has a molecular weight of 370.21 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 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)methanone is sourced from PubChem (CID 79685466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).