2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one

C14H10Br2O3S — CID 102846041

IUPAC2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(c1cc(Br)c(Br)s1)CC2=O
InChIInChI=1S/C14H10Br2O3S/c1-18-7-2-3-8-10(17)6-12(19-11(8)4-7)13-5-9(15)14(16)20-13/h2-5,12H,6H2,1H3
InChIKeyCNVRPMSJPPTVNU-UHFFFAOYSA-N
MW418.11 g/mol
LogP4.99
Rot. Bonds2

About 2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one

2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one (PubChem CID 102846041) has the molecular formula C14H10Br2O3S and a molecular weight of 418.11 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID102846041
Molecular FormulaC14H10Br2O3S
Molecular Weight418.11 g/mol
Exact Mass415.87
IUPAC Name2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(c1cc(Br)c(Br)s1)CC2=O
InChIInChI=1S/C14H10Br2O3S/c1-18-7-2-3-8-10(17)6-12(19-11(8)4-7)13-5-9(15)14(16)20-13/h2-5,12H,6H2,1H3
InChIKeyCNVRPMSJPPTVNU-UHFFFAOYSA-N
XLogP4.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.11
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672447
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 16655803
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
2-(4-fluoro-3-methylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672406
2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672632
7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
2-butan-2-yl-7-methoxy-2,3-dihydrochromen-4-one
CID 23465807

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one (CID 102846041) is 2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)OC(c1cc(Br)c(Br)s1)CC2=O.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is CNVRPMSJPPTVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O3S/c1-18-7-2-3-8-10(17)6-12(19-11(8)4-7)13-5-9(15)14(16)20-13/h2-5,12H,6H2,1H3.
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one?
2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 418.11 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 102846041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).