1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene

C15H14Br2O — CID 55225417

IUPAC1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene
SMILESCOc1ccccc1CC(Br)c1cccc(Br)c1
InChIInChI=1S/C15H14Br2O/c1-18-15-8-3-2-5-12(15)10-14(17)11-6-4-7-13(16)9-11/h2-9,14H,10H2,1H3
InChIKeyPYSZFHMRNKYWDG-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.14
Rot. Bonds4

About 1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene

1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene (PubChem CID 55225417) has the molecular formula C15H14Br2O and a molecular weight of 370.08 g/mol. Its IUPAC name is 1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene
PubChem CID55225417
Molecular FormulaC15H14Br2O
Molecular Weight370.08 g/mol
Exact Mass367.94
IUPAC Name1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene
SMILESCOc1ccccc1CC(Br)c1cccc(Br)c1
InChIInChI=1S/C15H14Br2O/c1-18-15-8-3-2-5-12(15)10-14(17)11-6-4-7-13(16)9-11/h2-9,14H,10H2,1H3
InChIKeyPYSZFHMRNKYWDG-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.14
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-bromo-3-[1-bromo-3-(2-methoxyphenyl)propan-2-yl]benzene
CID 79431763
2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
CID 79443596
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzene
CID 63542796
4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene
CID 63440149
1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261796
1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 23647926
3-[1-bromo-2-(2-methoxyphenyl)ethyl]furan
CID 63018381
N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 55575144
1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene
CID 121269535
[2-(5-bromo-2-methoxyphenyl)-1-(3-bromophenyl)ethyl]hydrazine
CID 105198026
1-bromo-3-[1-bromo-2-(4-fluorophenyl)ethyl]benzene
CID 63542087
2-bromo-5-[1-bromo-2-(2-methoxyphenyl)ethyl]thiophene
CID 63443929

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene?
The IUPAC name of 1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene (CID 55225417) is 1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene is COc1ccccc1CC(Br)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene?
The InChIKey is PYSZFHMRNKYWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O/c1-18-15-8-3-2-5-12(15)10-14(17)11-6-4-7-13(16)9-11/h2-9,14H,10H2,1H3.
What are the key properties of 1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene?
1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene has a molecular weight of 370.08 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene is sourced from PubChem (CID 55225417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).