1-[(E)-2-bromoethenyl]-2-butoxybenzene

C12H15BrO — CID 165465465

IUPAC1-[(E)-2-bromoethenyl]-2-butoxybenzene
SMILESCCCCOc1ccccc1/C=C/Br
InChIInChI=1S/C12H15BrO/c1-2-3-10-14-12-7-5-4-6-11(12)8-9-13/h4-9H,2-3,10H2,1H3/b9-8+
InChIKeyZQNSAQNASDTSRJ-CMDGGOBGSA-N
MW255.16 g/mol
LogP4.23
Rot. Bonds5

About 1-[(E)-2-bromoethenyl]-2-butoxybenzene

1-[(E)-2-bromoethenyl]-2-butoxybenzene (PubChem CID 165465465) has the molecular formula C12H15BrO and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-[(E)-2-bromoethenyl]-2-butoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-bromoethenyl]-2-butoxybenzene
PubChem CID165465465
Molecular FormulaC12H15BrO
Molecular Weight255.16 g/mol
Exact Mass254.03
IUPAC Name1-[(E)-2-bromoethenyl]-2-butoxybenzene
SMILESCCCCOc1ccccc1/C=C/Br
InChIInChI=1S/C12H15BrO/c1-2-3-10-14-12-7-5-4-6-11(12)8-9-13/h4-9H,2-3,10H2,1H3/b9-8+
InChIKeyZQNSAQNASDTSRJ-CMDGGOBGSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylsulfanylethenyl)-2-pentoxybenzene
CID 66777650
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
1-[(E)-but-1-enyl]-2-propoxybenzene;methane
CID 159219180
1-ethenyl-2-heptadecoxybenzene
CID 139672731
3-(2-undecoxyphenyl)prop-2-enoic acid
CID 139730297
2-[(E)-2-bromoethenyl]-4-butoxy-1-methylbenzene
CID 121432647
(2-butoxyphenyl)-trimethylsilane
CID 123527400
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-bromoethenyl]-2-butoxybenzene?
The IUPAC name of 1-[(E)-2-bromoethenyl]-2-butoxybenzene (CID 165465465) is 1-[(E)-2-bromoethenyl]-2-butoxybenzene.
What is the SMILES notation for 1-[(E)-2-bromoethenyl]-2-butoxybenzene?
The canonical SMILES for 1-[(E)-2-bromoethenyl]-2-butoxybenzene is CCCCOc1ccccc1/C=C/Br.
What is the InChIKey of 1-[(E)-2-bromoethenyl]-2-butoxybenzene?
The InChIKey is ZQNSAQNASDTSRJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H15BrO/c1-2-3-10-14-12-7-5-4-6-11(12)8-9-13/h4-9H,2-3,10H2,1H3/b9-8+.
What are the key properties of 1-[(E)-2-bromoethenyl]-2-butoxybenzene?
1-[(E)-2-bromoethenyl]-2-butoxybenzene has a molecular weight of 255.16 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-bromoethenyl]-2-butoxybenzene is sourced from PubChem (CID 165465465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).