1-(2-bromoethyl)-3-propan-2-yloxybenzene

C11H15BrO — CID 64867927

IUPAC1-(2-bromoethyl)-3-propan-2-yloxybenzene
SMILESCC(C)Oc1cccc(CCBr)c1
InChIInChI=1S/C11H15BrO/c1-9(2)13-11-5-3-4-10(8-11)6-7-12/h3-5,8-9H,6-7H2,1-2H3
InChIKeyZXBGXQNGLVEFBJ-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.41
Rot. Bonds4

About 1-(2-bromoethyl)-3-propan-2-yloxybenzene

1-(2-bromoethyl)-3-propan-2-yloxybenzene (PubChem CID 64867927) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-(2-bromoethyl)-3-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-(2-bromoethyl)-3-propan-2-yloxybenzene
PubChem CID64867927
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name1-(2-bromoethyl)-3-propan-2-yloxybenzene
SMILESCC(C)Oc1cccc(CCBr)c1
InChIInChI=1S/C11H15BrO/c1-9(2)13-11-5-3-4-10(8-11)6-7-12/h3-5,8-9H,6-7H2,1-2H3
InChIKeyZXBGXQNGLVEFBJ-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.41
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

methyl 2-[3-(2-bromoethyl)phenoxy]propanoate
CID 89264130
1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene
CID 91551741
1-hexyl-3-propan-2-yloxybenzene
CID 159994008
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
1-(1-bromo-2-phenylethyl)-3-propan-2-yloxybenzene
CID 63530049
(3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate
CID 12963459
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
2,2-dimethyl-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 117345113
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-3-propan-2-yloxybenzene?
The IUPAC name of 1-(2-bromoethyl)-3-propan-2-yloxybenzene (CID 64867927) is 1-(2-bromoethyl)-3-propan-2-yloxybenzene.
What is the SMILES notation for 1-(2-bromoethyl)-3-propan-2-yloxybenzene?
The canonical SMILES for 1-(2-bromoethyl)-3-propan-2-yloxybenzene is CC(C)Oc1cccc(CCBr)c1.
What is the InChIKey of 1-(2-bromoethyl)-3-propan-2-yloxybenzene?
The InChIKey is ZXBGXQNGLVEFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-9(2)13-11-5-3-4-10(8-11)6-7-12/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 1-(2-bromoethyl)-3-propan-2-yloxybenzene?
1-(2-bromoethyl)-3-propan-2-yloxybenzene has a molecular weight of 243.14 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-3-propan-2-yloxybenzene is sourced from PubChem (CID 64867927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).