1-(2-bromopropyl)-4-ethoxybenzene

C11H15BrO — CID 82254885

IUPAC1-(2-bromopropyl)-4-ethoxybenzene
SMILESCCOc1ccc(CC(C)Br)cc1
InChIInChI=1S/C11H15BrO/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9H,3,8H2,1-2H3
InChIKeyVLRQFYGKDPQWAY-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.41
Rot. Bonds4

About 1-(2-bromopropyl)-4-ethoxybenzene

1-(2-bromopropyl)-4-ethoxybenzene (PubChem CID 82254885) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-(2-bromopropyl)-4-ethoxybenzene.

Molecular Properties

Compound Name1-(2-bromopropyl)-4-ethoxybenzene
PubChem CID82254885
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name1-(2-bromopropyl)-4-ethoxybenzene
SMILESCCOc1ccc(CC(C)Br)cc1
InChIInChI=1S/C11H15BrO/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9H,3,8H2,1-2H3
InChIKeyVLRQFYGKDPQWAY-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

1-(3-bromo-2-methylpropyl)-4-ethoxybenzene
CID 64671005
1-(4-ethoxyphenyl)butan-2-ol
CID 82161585
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
4-(4-ethoxyphenyl)-3-methylbutan-1-ol
CID 112507798
3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 64666892
1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431022
1-bromo-4-(2-bromopropyl)benzene
CID 63017795
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
3-(4-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 64664768
4-(4-ethoxyphenyl)-3-methylbutanethioamide
CID 83932215
1-(1-bromo-2-methylbutyl)-4-ethoxybenzene
CID 63436936
CID 59409666
CID 59409666

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromopropyl)-4-ethoxybenzene?
The IUPAC name of 1-(2-bromopropyl)-4-ethoxybenzene (CID 82254885) is 1-(2-bromopropyl)-4-ethoxybenzene.
What is the SMILES notation for 1-(2-bromopropyl)-4-ethoxybenzene?
The canonical SMILES for 1-(2-bromopropyl)-4-ethoxybenzene is CCOc1ccc(CC(C)Br)cc1.
What is the InChIKey of 1-(2-bromopropyl)-4-ethoxybenzene?
The InChIKey is VLRQFYGKDPQWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-(2-bromopropyl)-4-ethoxybenzene?
1-(2-bromopropyl)-4-ethoxybenzene 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-bromopropyl)-4-ethoxybenzene is sourced from PubChem (CID 82254885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).