1-bromo-3-ethoxybenzene;ethane

C10H15BrO — CID 143900364

IUPAC1-bromo-3-ethoxybenzene;ethane
SMILESCC.CCOc1cccc(Br)c1
InChIInChI=1S/C8H9BrO.C2H6/c1-2-10-8-5-3-4-7(9)6-8;1-2/h3-6H,2H2,1H3;1-2H3
InChIKeyPOPQINDCABINIC-UHFFFAOYSA-N
MW231.13 g/mol
LogP3.87
Rot. Bonds2

About 1-bromo-3-ethoxybenzene;ethane

1-bromo-3-ethoxybenzene;ethane (PubChem CID 143900364) has the molecular formula C10H15BrO and a molecular weight of 231.13 g/mol. Its IUPAC name is 1-bromo-3-ethoxybenzene;ethane.

Molecular Properties

Compound Name1-bromo-3-ethoxybenzene;ethane
PubChem CID143900364
Molecular FormulaC10H15BrO
Molecular Weight231.13 g/mol
Exact Mass230.03
IUPAC Name1-bromo-3-ethoxybenzene;ethane
SMILESCC.CCOc1cccc(Br)c1
InChIInChI=1S/C8H9BrO.C2H6/c1-2-10-8-5-3-4-7(9)6-8;1-2/h3-6H,2H2,1H3;1-2H3
InChIKeyPOPQINDCABINIC-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
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1-bromo-3-(cyclopropylmethoxy)benzene;ethane
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1-bromo-3-(diethoxyphosphorylmethoxy)benzene
CID 156817200
1-bromo-3,5-diethoxybenzene
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2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
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1-(4-bromobutoxy)-3-ethoxybenzene
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CID 24689388
bromobenzene;3-ethoxybenzoic acid
CID 174626248
N-[2-(3-bromophenoxy)ethyl]-N-butylbutan-1-amine
CID 55026914
1-bromo-3-[(4-ethoxyphenyl)methyl]benzene
CID 46205787
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
1-bromo-3-(2-propylpentoxy)benzene
CID 67316784

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-ethoxybenzene;ethane?
The IUPAC name of 1-bromo-3-ethoxybenzene;ethane (CID 143900364) is 1-bromo-3-ethoxybenzene;ethane.
What is the SMILES notation for 1-bromo-3-ethoxybenzene;ethane?
The canonical SMILES for 1-bromo-3-ethoxybenzene;ethane is CC.CCOc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-ethoxybenzene;ethane?
The InChIKey is POPQINDCABINIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO.C2H6/c1-2-10-8-5-3-4-7(9)6-8;1-2/h3-6H,2H2,1H3;1-2H3.
What are the key properties of 1-bromo-3-ethoxybenzene;ethane?
1-bromo-3-ethoxybenzene;ethane has a molecular weight of 231.13 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-ethoxybenzene;ethane is sourced from PubChem (CID 143900364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).