6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene

C14H13BrOS — CID 61098210

IUPAC6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
SMILESBrC(c1ccsc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H13BrOS/c15-14(12-5-7-17-9-12)11-3-4-13-10(8-11)2-1-6-16-13/h3-5,7-9,14H,1-2,6H2
InChIKeyRMQGAQSBBOPOQA-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.56
Rot. Bonds2

About 6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene

6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene (PubChem CID 61098210) has the molecular formula C14H13BrOS and a molecular weight of 309.23 g/mol. Its IUPAC name is 6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
PubChem CID61098210
Molecular FormulaC14H13BrOS
Molecular Weight309.23 g/mol
Exact Mass307.99
IUPAC Name6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
SMILESBrC(c1ccsc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H13BrOS/c15-14(12-5-7-17-9-12)11-3-4-13-10(8-11)2-1-6-16-13/h3-5,7-9,14H,1-2,6H2
InChIKeyRMQGAQSBBOPOQA-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[chloro(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 61084871
6-[bromo(thiophen-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61097900
6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444189
(R)-2,3-dihydro-1-benzofuran-5-yl(thiophen-3-yl)methanamine
CID 171222054
6-[bromo-(3-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444280
5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63439179
6-[bromo(thieno[3,2-b]thiophen-5-yl)methyl]-3,4-dihydro-2H-chromene
CID 80739025
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 62842384
6-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 62920915
6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61097211
6-[bromo-(5-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 82891172
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253

Frequently Asked Questions

What is the IUPAC name of 6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene (CID 61098210) is 6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene is BrC(c1ccsc1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is RMQGAQSBBOPOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS/c15-14(12-5-7-17-9-12)11-3-4-13-10(8-11)2-1-6-16-13/h3-5,7-9,14H,1-2,6H2.
What are the key properties of 6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene?
6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 309.23 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo(thiophen-3-yl)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 61098210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).