1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene

C16H16Br2O — CID 121269535

IUPAC1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene
SMILESCOc1ccccc1CC(Br)Cc1ccc(Br)cc1
InChIInChI=1S/C16H16Br2O/c1-19-16-5-3-2-4-13(16)11-15(18)10-12-6-8-14(17)9-7-12/h2-9,15H,10-11H2,1H3
InChIKeyTXDCCJHFECWDPT-UHFFFAOYSA-N
MW384.11 g/mol
LogP5.01
Rot. Bonds5

About 1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene

1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene (PubChem CID 121269535) has the molecular formula C16H16Br2O and a molecular weight of 384.11 g/mol. Its IUPAC name is 1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene
PubChem CID121269535
Molecular FormulaC16H16Br2O
Molecular Weight384.11 g/mol
Exact Mass381.96
IUPAC Name1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene
SMILESCOc1ccccc1CC(Br)Cc1ccc(Br)cc1
InChIInChI=1S/C16H16Br2O/c1-19-16-5-3-2-4-13(16)11-15(18)10-12-6-8-14(17)9-7-12/h2-9,15H,10-11H2,1H3
InChIKeyTXDCCJHFECWDPT-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.11
LogP ≤ 55.01
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-[2-bromo-4-(4-methoxyphenyl)butyl]-2-methoxybenzene
CID 63543653
1-bromo-4-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]benzene
CID 79434338
2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 79441963
1-(2-bromooctyl)-2-methoxybenzene
CID 114753891
1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene
CID 55225417
1-bromo-4-[2-bromo-4-(4-methoxyphenyl)butyl]benzene
CID 63542238
1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 61262537
1-(1-bromo-2-phenylethyl)-2-methoxybenzene
CID 63017425
1-(4-bromo-2-methylpentyl)-2-methoxybenzene
CID 64721690
1-bromo-4-[(2-methoxyphenyl)methoxy]benzene
CID 54940328
1-[2-(bromomethyl)-3-(4-iodophenyl)propyl]-2-methoxybenzene
CID 66041158
2-[(4-bromophenyl)methyl]-3-(2-fluoro-3-methoxyphenyl)propan-1-amine
CID 104794595

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene?
The IUPAC name of 1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene (CID 121269535) is 1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene?
The canonical SMILES for 1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene is COc1ccccc1CC(Br)Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene?
The InChIKey is TXDCCJHFECWDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O/c1-19-16-5-3-2-4-13(16)11-15(18)10-12-6-8-14(17)9-7-12/h2-9,15H,10-11H2,1H3.
What are the key properties of 1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene?
1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene has a molecular weight of 384.11 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene is sourced from PubChem (CID 121269535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).