1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene

C17H19BrO — CID 65016153

IUPAC1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene
SMILESCCc1cccc(OCC(CBr)c2ccccc2)c1
InChIInChI=1S/C17H19BrO/c1-2-14-7-6-10-17(11-14)19-13-16(12-18)15-8-4-3-5-9-15/h3-11,16H,2,12-13H2,1H3
InChIKeyKEQXLBXAFRRISQ-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.81
Rot. Bonds6

About 1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene

1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene (PubChem CID 65016153) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene.

Molecular Properties

Compound Name1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene
PubChem CID65016153
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene
SMILESCCc1cccc(OCC(CBr)c2ccccc2)c1
InChIInChI=1S/C17H19BrO/c1-2-14-7-6-10-17(11-14)19-13-16(12-18)15-8-4-3-5-9-15/h3-11,16H,2,12-13H2,1H3
InChIKeyKEQXLBXAFRRISQ-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.81
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-phenylpropoxy)-4-ethylbenzene
CID 65014507
1-(3-bromo-2-phenylpropoxy)-3-iodobenzene
CID 65015847
2-(3-ethylphenoxy)-1-phenylethanamine
CID 43211626
N-[3-(3-bromo-2-phenylpropoxy)phenyl]acetamide
CID 65016573
4-(3-bromo-2-phenylpropoxy)-1,2-difluorobenzene
CID 65015849
cumene;ethane;1-ethyl-3-methoxybenzene
CID 171630693
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
3-(3-ethylphenoxy)-1-phenylpropan-1-ol
CID 116693327
1-bromo-4-(3-bromo-2-phenylpropoxy)-2-fluorobenzene
CID 65203700
1-chloro-3-(2-phenylbutoxy)benzene
CID 70672799
(2R)-3-(3-ethylphenoxy)-2-methylpropan-1-amine
CID 93264285
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene?
The IUPAC name of 1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene (CID 65016153) is 1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene.
What is the SMILES notation for 1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene?
The canonical SMILES for 1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene is CCc1cccc(OCC(CBr)c2ccccc2)c1.
What is the InChIKey of 1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene?
The InChIKey is KEQXLBXAFRRISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-2-14-7-6-10-17(11-14)19-13-16(12-18)15-8-4-3-5-9-15/h3-11,16H,2,12-13H2,1H3.
What are the key properties of 1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene?
1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene has a molecular weight of 319.24 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-phenylpropoxy)-3-ethylbenzene is sourced from PubChem (CID 65016153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).