1-(3-bromopropyl)-2-ethoxybenzene

C11H15BrO — CID 18786539

IUPAC1-(3-bromopropyl)-2-ethoxybenzene
SMILESCCOc1ccccc1CCCBr
InChIInChI=1S/C11H15BrO/c1-2-13-11-8-4-3-6-10(11)7-5-9-12/h3-4,6,8H,2,5,7,9H2,1H3
InChIKeyZPCNIEKIEMDZJU-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.41
Rot. Bonds5

About 1-(3-bromopropyl)-2-ethoxybenzene

1-(3-bromopropyl)-2-ethoxybenzene (PubChem CID 18786539) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-(3-bromopropyl)-2-ethoxybenzene.

Molecular Properties

Compound Name1-(3-bromopropyl)-2-ethoxybenzene
PubChem CID18786539
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name1-(3-bromopropyl)-2-ethoxybenzene
SMILESCCOc1ccccc1CCCBr
InChIInChI=1S/C11H15BrO/c1-2-13-11-8-4-3-6-10(11)7-5-9-12/h3-4,6,8H,2,5,7,9H2,1H3
InChIKeyZPCNIEKIEMDZJU-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-decyl-2-ethoxybenzene
CID 175243335
1-(3-bromopropyl)-3-ethoxy-2-(trifluoromethoxy)benzene
CID 118818980
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278
1-(5-bromopentyl)-2-methoxybenzene
CID 18786551
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
3-(2-ethoxyphenyl)propyl methanesulfonate
CID 19688465
1-(3-cyclopenta-1,4-dien-1-ylpropyl)-2-ethoxybenzene
CID 87976162
3-(2-ethoxyphenyl)propanenitrile
CID 53434291
1-(2-azidoethyl)-2-ethoxybenzene
CID 150018068
1-(3-chlorobutyl)-2-ethoxybenzene
CID 64514219

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-2-ethoxybenzene?
The IUPAC name of 1-(3-bromopropyl)-2-ethoxybenzene (CID 18786539) is 1-(3-bromopropyl)-2-ethoxybenzene.
What is the SMILES notation for 1-(3-bromopropyl)-2-ethoxybenzene?
The canonical SMILES for 1-(3-bromopropyl)-2-ethoxybenzene is CCOc1ccccc1CCCBr.
What is the InChIKey of 1-(3-bromopropyl)-2-ethoxybenzene?
The InChIKey is ZPCNIEKIEMDZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-2-13-11-8-4-3-6-10(11)7-5-9-12/h3-4,6,8H,2,5,7,9H2,1H3.
What are the key properties of 1-(3-bromopropyl)-2-ethoxybenzene?
1-(3-bromopropyl)-2-ethoxybenzene 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-bromopropyl)-2-ethoxybenzene is sourced from PubChem (CID 18786539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).