1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene

C15H16Br2O — CID 150832897

IUPAC1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene
SMILESCC1(Br)C=CC=CC1Oc1ccccc1CCBr
InChIInChI=1S/C15H16Br2O/c1-15(17)10-5-4-8-14(15)18-13-7-3-2-6-12(13)9-11-16/h2-8,10,14H,9,11H2,1H3
InChIKeyKMIPTDHJTWGWIV-UHFFFAOYSA-N
MW372.10 g/mol
LogP4.65
Rot. Bonds4

About 1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene

1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene (PubChem CID 150832897) has the molecular formula C15H16Br2O and a molecular weight of 372.10 g/mol. Its IUPAC name is 1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene.

Molecular Properties

Compound Name1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene
PubChem CID150832897
Molecular FormulaC15H16Br2O
Molecular Weight372.10 g/mol
Exact Mass369.96
IUPAC Name1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene
SMILESCC1(Br)C=CC=CC1Oc1ccccc1CCBr
InChIInChI=1S/C15H16Br2O/c1-15(17)10-5-4-8-14(15)18-13-7-3-2-6-12(13)9-11-16/h2-8,10,14H,9,11H2,1H3
InChIKeyKMIPTDHJTWGWIV-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.10
LogP ≤ 54.65
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

acetylene;1-(2-bromoethyl)-2-methoxybenzene
CID 143927772
1-ethyl-6-(2-methoxyphenoxy)cyclohexa-2,4-dien-1-ol
CID 175091803
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
1-(2-bromoethyl)-2-propylbenzene
CID 70218831
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene
CID 64747332
1-(3-bromopropyl)-2-ethoxybenzene
CID 18786539
1-(5-bromopentyl)-2-methoxybenzene
CID 18786551
1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene
CID 174422888
2-(2-bromoethyl)benzenethiol
CID 22048103
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
2-(bromomethyl)-1-[(2-methoxyphenyl)methyl]aziridine
CID 102551105

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene?
The IUPAC name of 1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene (CID 150832897) is 1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene.
What is the SMILES notation for 1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene?
The canonical SMILES for 1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene is CC1(Br)C=CC=CC1Oc1ccccc1CCBr.
What is the InChIKey of 1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene?
The InChIKey is KMIPTDHJTWGWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2O/c1-15(17)10-5-4-8-14(15)18-13-7-3-2-6-12(13)9-11-16/h2-8,10,14H,9,11H2,1H3.
What are the key properties of 1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene?
1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene has a molecular weight of 372.10 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-2-(6-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxybenzene is sourced from PubChem (CID 150832897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).