(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone

C14H10Br2OS — CID 80532389

IUPAC(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCC2)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H10Br2OS/c15-11-7-12(18-14(11)16)13(17)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2
InChIKeyLOEVKFDCNFUHAG-UHFFFAOYSA-N
MW386.11 g/mol
LogP4.99
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone

(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone (PubChem CID 80532389) has the molecular formula C14H10Br2OS and a molecular weight of 386.11 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
PubChem CID80532389
Molecular FormulaC14H10Br2OS
Molecular Weight386.11 g/mol
Exact Mass383.88
IUPAC Name(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCC2)c1cc(Br)c(Br)s1
InChIInChI=1S/C14H10Br2OS/c15-11-7-12(18-14(11)16)13(17)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2
InChIKeyLOEVKFDCNFUHAG-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.11
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107979596
5-(4,5-dibromothiophene-2-carbonyl)-1,3-dimethylbenzimidazol-2-one
CID 80534198
(4,5-dibromothiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 80532450
(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43338923
(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone
CID 80536800
(3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107874132
(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43161073
2,3-dihydro-1H-inden-5-yl(naphthalen-2-yl)methanone
CID 43338934
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 80532521
5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one
CID 43463235
2-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid
CID 57251163
(3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 107949659

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone (CID 80532389) is (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone is O=C(c1ccc2c(c1)CCC2)c1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The InChIKey is LOEVKFDCNFUHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2OS/c15-11-7-12(18-14(11)16)13(17)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone?
(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone has a molecular weight of 386.11 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone is sourced from PubChem (CID 80532389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).