1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene

C15H23BrO — CID 83051049

IUPAC1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene
SMILESCCCC(Br)C(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23BrO/c1-5-6-15(16)12(4)13-7-9-14(10-8-13)17-11(2)3/h7-12,15H,5-6H2,1-4H3
InChIKeyQARBHODGSLACHW-UHFFFAOYSA-N
MW299.25 g/mol
LogP5.14
Rot. Bonds6

About 1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene

1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene (PubChem CID 83051049) has the molecular formula C15H23BrO and a molecular weight of 299.25 g/mol. Its IUPAC name is 1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene
PubChem CID83051049
Molecular FormulaC15H23BrO
Molecular Weight299.25 g/mol
Exact Mass298.09
IUPAC Name1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene
SMILESCCCC(Br)C(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23BrO/c1-5-6-15(16)12(4)13-7-9-14(10-8-13)17-11(2)3/h7-12,15H,5-6H2,1-4H3
InChIKeyQARBHODGSLACHW-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.25
LogP ≤ 55.14
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

1-(1-bromobutyl)-4-propan-2-yloxybenzene
CID 63441208
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
bromo-(4-propan-2-yloxyphenyl)methanamine
CID 116947610
1-(3-bromohexan-2-yl)-3-methoxybenzene
CID 83051986
2-(4-propan-2-yloxyphenyl)-N-propylpentan-3-amine
CID 79308290
1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene
CID 63441254
2-[bromo-(4-propan-2-yloxyphenyl)methyl]-1,3-difluorobenzene
CID 63441575
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 116914623
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
[2-ethoxy-1-(4-propan-2-yloxyphenyl)pentyl]hydrazine
CID 105271540

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene?
The IUPAC name of 1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene (CID 83051049) is 1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene?
The canonical SMILES for 1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene is CCCC(Br)C(C)c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene?
The InChIKey is QARBHODGSLACHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO/c1-5-6-15(16)12(4)13-7-9-14(10-8-13)17-11(2)3/h7-12,15H,5-6H2,1-4H3.
What are the key properties of 1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene?
1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene has a molecular weight of 299.25 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromohexan-2-yl)-4-propan-2-yloxybenzene is sourced from PubChem (CID 83051049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).