1-bromo-3-hex-5-enoxybenzene

C12H15BrO — CID 146004224

IUPAC1-bromo-3-hex-5-enoxybenzene
SMILESC=CCCCCOc1cccc(Br)c1
InChIInChI=1S/C12H15BrO/c1-2-3-4-5-9-14-12-8-6-7-11(13)10-12/h2,6-8,10H,1,3-5,9H2
InChIKeySNNWNTCSSCHZQG-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.18
Rot. Bonds6

About 1-bromo-3-hex-5-enoxybenzene

1-bromo-3-hex-5-enoxybenzene (PubChem CID 146004224) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-bromo-3-hex-5-enoxybenzene.

Molecular Properties

Compound Name1-bromo-3-hex-5-enoxybenzene
PubChem CID146004224
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-bromo-3-hex-5-enoxybenzene
SMILESC=CCCCCOc1cccc(Br)c1
InChIInChI=1S/C12H15BrO/c1-2-3-4-5-9-14-12-8-6-7-11(13)10-12/h2,6-8,10H,1,3-5,9H2
InChIKeySNNWNTCSSCHZQG-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-methoxy-3-pent-4-enoxybenzene
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1-fluoro-3-pent-4-enoxybenzene
CID 64764365
2-bromo-1,3-bis(hex-5-enoxy)benzene
CID 10882709
1-bromo-3-(10,10,10-trifluorodecoxy)benzene
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1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
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CID 55378562
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-hex-5-enoxybenzene?
The IUPAC name of 1-bromo-3-hex-5-enoxybenzene (CID 146004224) is 1-bromo-3-hex-5-enoxybenzene.
What is the SMILES notation for 1-bromo-3-hex-5-enoxybenzene?
The canonical SMILES for 1-bromo-3-hex-5-enoxybenzene is C=CCCCCOc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-hex-5-enoxybenzene?
The InChIKey is SNNWNTCSSCHZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-2-3-4-5-9-14-12-8-6-7-11(13)10-12/h2,6-8,10H,1,3-5,9H2.
What are the key properties of 1-bromo-3-hex-5-enoxybenzene?
1-bromo-3-hex-5-enoxybenzene has a molecular weight of 255.15 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-hex-5-enoxybenzene is sourced from PubChem (CID 146004224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).