1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol

C17H16BrFO — CID 115803383

IUPAC1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
SMILESOC(Cc1ccc2c(c1)CCC2)c1cccc(F)c1Br
InChIInChI=1S/C17H16BrFO/c18-17-14(5-2-6-15(17)19)16(20)10-11-7-8-12-3-1-4-13(12)9-11/h2,5-9,16,20H,1,3-4,10H2
InChIKeyIXMYMUMQNPONJD-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.35
Rot. Bonds3

About 1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol

1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol (PubChem CID 115803383) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
PubChem CID115803383
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
SMILESOC(Cc1ccc2c(c1)CCC2)c1cccc(F)c1Br
InChIInChI=1S/C17H16BrFO/c18-17-14(5-2-6-15(17)19)16(20)10-11-7-8-12-3-1-4-13(12)9-11/h2,5-9,16,20H,1,3-4,10H2
InChIKeyIXMYMUMQNPONJD-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol
CID 115803489
5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 79454542
[1-(2,3-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105310733
1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803352
1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 115790217
5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198009
5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 66041314
1-(2-bromo-3-fluorophenyl)butan-1-ol
CID 58572720
1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114885464
1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol
CID 115810729
1-(2-chloro-3-fluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894454
1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803420

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol (CID 115803383) is 1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol is OC(Cc1ccc2c(c1)CCC2)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
The InChIKey is IXMYMUMQNPONJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c18-17-14(5-2-6-15(17)19)16(20)10-11-7-8-12-3-1-4-13(12)9-11/h2,5-9,16,20H,1,3-4,10H2.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol has a molecular weight of 335.22 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol is sourced from PubChem (CID 115803383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).