1-(2-bromoethoxy)-4-pentan-3-yloxybenzene

C13H19BrO2 — CID 15239123

IUPAC1-(2-bromoethoxy)-4-pentan-3-yloxybenzene
SMILESCCC(CC)Oc1ccc(OCCBr)cc1
InChIInChI=1S/C13H19BrO2/c1-3-11(4-2)16-13-7-5-12(6-8-13)15-10-9-14/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyKDPMTNWZWKDKGI-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.03
Rot. Bonds7

About 1-(2-bromoethoxy)-4-pentan-3-yloxybenzene

1-(2-bromoethoxy)-4-pentan-3-yloxybenzene (PubChem CID 15239123) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-4-pentan-3-yloxybenzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)-4-pentan-3-yloxybenzene
PubChem CID15239123
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name1-(2-bromoethoxy)-4-pentan-3-yloxybenzene
SMILESCCC(CC)Oc1ccc(OCCBr)cc1
InChIInChI=1S/C13H19BrO2/c1-3-11(4-2)16-13-7-5-12(6-8-13)15-10-9-14/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyKDPMTNWZWKDKGI-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-4-pentan-3-yloxybenzene
CID 90865394
O-(4-pentan-3-yloxyphenyl)hydroxylamine
CID 163751792
2-(4-propoxyphenoxy)-N-propylbutan-1-amine
CID 55076769
3-(4-propoxyphenoxy)pentanethioamide
CID 43368833
1-(chloromethyl)-4-pentan-3-yloxybenzene
CID 54051515
1-(2-bromoethoxymethoxy)-4-butan-2-ylbenzene
CID 58559906
1-[4-(2-bromoethoxy)phenyl]propan-2-amine
CID 170864441
1-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]-4-octoxybenzene
CID 71377683
(4-pentan-3-yloxyphenyl)boronic acid
CID 58007662
1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene
CID 170062648
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
1-bromo-4-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 146502116

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-4-pentan-3-yloxybenzene?
The IUPAC name of 1-(2-bromoethoxy)-4-pentan-3-yloxybenzene (CID 15239123) is 1-(2-bromoethoxy)-4-pentan-3-yloxybenzene.
What is the SMILES notation for 1-(2-bromoethoxy)-4-pentan-3-yloxybenzene?
The canonical SMILES for 1-(2-bromoethoxy)-4-pentan-3-yloxybenzene is CCC(CC)Oc1ccc(OCCBr)cc1.
What is the InChIKey of 1-(2-bromoethoxy)-4-pentan-3-yloxybenzene?
The InChIKey is KDPMTNWZWKDKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-3-11(4-2)16-13-7-5-12(6-8-13)15-10-9-14/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(2-bromoethoxy)-4-pentan-3-yloxybenzene?
1-(2-bromoethoxy)-4-pentan-3-yloxybenzene has a molecular weight of 287.20 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-4-pentan-3-yloxybenzene is sourced from PubChem (CID 15239123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).