1-bromo-3-ethylbenzene;ethane

C12H21Br — CID 143778556

IUPAC1-bromo-3-ethylbenzene;ethane
SMILESCC.CC.CCc1cccc(Br)c1
InChIInChI=1S/C8H9Br.2C2H6/c1-2-7-4-3-5-8(9)6-7;2*1-2/h3-6H,2H2,1H3;2*1-2H3
InChIKeyNREASSUXBWZRHP-UHFFFAOYSA-N
MW245.20 g/mol
LogP5.06
Rot. Bonds1

About 1-bromo-3-ethylbenzene;ethane

1-bromo-3-ethylbenzene;ethane (PubChem CID 143778556) has the molecular formula C12H21Br and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-bromo-3-ethylbenzene;ethane.

Molecular Properties

Compound Name1-bromo-3-ethylbenzene;ethane
PubChem CID143778556
Molecular FormulaC12H21Br
Molecular Weight245.20 g/mol
Exact Mass244.08
IUPAC Name1-bromo-3-ethylbenzene;ethane
SMILESCC.CC.CCc1cccc(Br)c1
InChIInChI=1S/C8H9Br.2C2H6/c1-2-7-4-3-5-8(9)6-7;2*1-2/h3-6H,2H2,1H3;2*1-2H3
InChIKeyNREASSUXBWZRHP-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.20
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3-ethylbenzene;methane
CID 158533972
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
CID 60684600
1-bromo-3-(propylsulfanylmethyl)benzene
CID 60645412
1-bromo-3-[2-(bromomethyl)butyl]benzene
CID 66041649
1-bromo-3-(ethylsulfanylmethyl)benzene
CID 60643993
(3-bromophenyl)methyl-difluoroborane;ethane
CID 177030224
1-bromo-3-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55198133
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
N-(bromomethyl)-2-(3-bromophenyl)ethanamine
CID 115262293

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-ethylbenzene;ethane?
The IUPAC name of 1-bromo-3-ethylbenzene;ethane (CID 143778556) is 1-bromo-3-ethylbenzene;ethane.
What is the SMILES notation for 1-bromo-3-ethylbenzene;ethane?
The canonical SMILES for 1-bromo-3-ethylbenzene;ethane is CC.CC.CCc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-ethylbenzene;ethane?
The InChIKey is NREASSUXBWZRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br.2C2H6/c1-2-7-4-3-5-8(9)6-7;2*1-2/h3-6H,2H2,1H3;2*1-2H3.
What are the key properties of 1-bromo-3-ethylbenzene;ethane?
1-bromo-3-ethylbenzene;ethane has a molecular weight of 245.20 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-ethylbenzene;ethane is sourced from PubChem (CID 143778556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).