2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone

C18H17BrO2 — CID 82810406

IUPAC2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(COCc1cccc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17BrO2/c19-17-6-1-3-13(9-17)11-21-12-18(20)16-8-7-14-4-2-5-15(14)10-16/h1,3,6-10H,2,4-5,11-12H2
InChIKeyQYZVURXMGOLEQO-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.34
Rot. Bonds5

About 2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone

2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 82810406) has the molecular formula C18H17BrO2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID82810406
Molecular FormulaC18H17BrO2
Molecular Weight345.24 g/mol
Exact Mass344.04
IUPAC Name2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(COCc1cccc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H17BrO2/c19-17-6-1-3-13(9-17)11-21-12-18(20)16-8-7-14-4-2-5-15(14)10-16/h1,3,6-10H,2,4-5,11-12H2
InChIKeyQYZVURXMGOLEQO-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60645315
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 7825755
1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126287
2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone
CID 104752197
2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 63567111
2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone
CID 82826992
2-(3-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 63020393
1-[(3-bromophenyl)methoxy]-3,3-dimethylbutan-2-one
CID 82827323
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluorophenoxy)ethanone
CID 43413398
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone
CID 43800532
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 5-bromo-2-hydroxybenzoate
CID 7786303

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone (CID 82810406) is 2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone is O=C(COCc1cccc(Br)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is QYZVURXMGOLEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO2/c19-17-6-1-3-13(9-17)11-21-12-18(20)16-8-7-14-4-2-5-15(14)10-16/h1,3,6-10H,2,4-5,11-12H2.
What are the key properties of 2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 345.24 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 82810406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).