1-(3-bromopropoxy)-2-ethylbenzene

C11H15BrO — CID 43364278

IUPAC1-(3-bromopropoxy)-2-ethylbenzene
SMILESCCc1ccccc1OCCCBr
InChIInChI=1S/C11H15BrO/c1-2-10-6-3-4-7-11(10)13-9-5-8-12/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyWRZIKMGRJRPNCX-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.41
Rot. Bonds5

About 1-(3-bromopropoxy)-2-ethylbenzene

1-(3-bromopropoxy)-2-ethylbenzene (PubChem CID 43364278) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-(3-bromopropoxy)-2-ethylbenzene.

Molecular Properties

Compound Name1-(3-bromopropoxy)-2-ethylbenzene
PubChem CID43364278
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name1-(3-bromopropoxy)-2-ethylbenzene
SMILESCCc1ccccc1OCCCBr
InChIInChI=1S/C11H15BrO/c1-2-10-6-3-4-7-11(10)13-9-5-8-12/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyWRZIKMGRJRPNCX-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethane;1-ethyl-2-(2-fluoroethoxy)benzene
CID 170716854
1-ethyl-2-heptoxybenzene
CID 22723794
1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
4-(2-ethylphenoxy)butanamide
CID 82040636
ethane;1-ethyl-2-[(Z)-hept-4-enoxy]benzene;hydrate
CID 143031035
1-(3-bromopropyl)-2-ethoxybenzene
CID 18786539
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
3-[3-(2-ethylphenoxy)propoxy]propan-1-amine
CID 82353346
5-(2-ethylphenoxy)pentanoic acid
CID 43351498
1-(bromomethyl)-2-propoxybenzene
CID 43141572

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropoxy)-2-ethylbenzene?
The IUPAC name of 1-(3-bromopropoxy)-2-ethylbenzene (CID 43364278) is 1-(3-bromopropoxy)-2-ethylbenzene.
What is the SMILES notation for 1-(3-bromopropoxy)-2-ethylbenzene?
The canonical SMILES for 1-(3-bromopropoxy)-2-ethylbenzene is CCc1ccccc1OCCCBr.
What is the InChIKey of 1-(3-bromopropoxy)-2-ethylbenzene?
The InChIKey is WRZIKMGRJRPNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-2-10-6-3-4-7-11(10)13-9-5-8-12/h3-4,6-7H,2,5,8-9H2,1H3.
What are the key properties of 1-(3-bromopropoxy)-2-ethylbenzene?
1-(3-bromopropoxy)-2-ethylbenzene has a molecular weight of 243.14 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropoxy)-2-ethylbenzene is sourced from PubChem (CID 43364278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).