4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene

C16H16Br2O — CID 63443048

IUPAC4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene
SMILESCCOc1ccc(Br)cc1C(Br)Cc1ccccc1
InChIInChI=1S/C16H16Br2O/c1-2-19-16-9-8-13(17)11-14(16)15(18)10-12-6-4-3-5-7-12/h3-9,11,15H,2,10H2,1H3
InChIKeyFYFFHKTUKCEPJA-UHFFFAOYSA-N
MW384.11 g/mol
LogP5.53
Rot. Bonds5

About 4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene

4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene (PubChem CID 63443048) has the molecular formula C16H16Br2O and a molecular weight of 384.11 g/mol. Its IUPAC name is 4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene
PubChem CID63443048
Molecular FormulaC16H16Br2O
Molecular Weight384.11 g/mol
Exact Mass381.96
IUPAC Name4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene
SMILESCCOc1ccc(Br)cc1C(Br)Cc1ccccc1
InChIInChI=1S/C16H16Br2O/c1-2-19-16-9-8-13(17)11-14(16)15(18)10-12-6-4-3-5-7-12/h3-9,11,15H,2,10H2,1H3
InChIKeyFYFFHKTUKCEPJA-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.11
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-bromo-2-(3-bromophenyl)ethyl]-1-ethoxy-4-methylbenzene
CID 63447563
(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-phenylpropan-2-ol
CID 171262949
4-(1-bromo-2-phenylethyl)-1,2-diethoxybenzene
CID 63442286
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine
CID 63507981
1-(5-bromo-2-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 43311411
1,3-dibromo-5-[bromo-(5-bromo-2-ethoxyphenyl)methyl]benzene
CID 107980915
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
1-(1-bromo-2-phenylethyl)-2-methoxybenzene
CID 63017425
4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
CID 115401938
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene?
The IUPAC name of 4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene (CID 63443048) is 4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene.
What is the SMILES notation for 4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene?
The canonical SMILES for 4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene is CCOc1ccc(Br)cc1C(Br)Cc1ccccc1.
What is the InChIKey of 4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene?
The InChIKey is FYFFHKTUKCEPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O/c1-2-19-16-9-8-13(17)11-14(16)15(18)10-12-6-4-3-5-7-12/h3-9,11,15H,2,10H2,1H3.
What are the key properties of 4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene?
4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene has a molecular weight of 384.11 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene is sourced from PubChem (CID 63443048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).