1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene

C17H18Br2O2 — CID 154634128

IUPAC1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene
SMILESCC(C)(OCc1ccc(Br)cc1)OCc1ccc(Br)cc1
InChIInChI=1S/C17H18Br2O2/c1-17(2,20-11-13-3-7-15(18)8-4-13)21-12-14-5-9-16(19)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyDBSLZCHKEQANEQ-UHFFFAOYSA-N
MW414.14 g/mol
LogP5.68
Rot. Bonds6

About 1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene

1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene (PubChem CID 154634128) has the molecular formula C17H18Br2O2 and a molecular weight of 414.14 g/mol. Its IUPAC name is 1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene
PubChem CID154634128
Molecular FormulaC17H18Br2O2
Molecular Weight414.14 g/mol
Exact Mass411.97
IUPAC Name1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene
SMILESCC(C)(OCc1ccc(Br)cc1)OCc1ccc(Br)cc1
InChIInChI=1S/C17H18Br2O2/c1-17(2,20-11-13-3-7-15(18)8-4-13)21-12-14-5-9-16(19)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyDBSLZCHKEQANEQ-UHFFFAOYSA-N
XLogP5.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.14
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-(2,2-dibromopropoxymethyl)benzene
CID 67833437
2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine
CID 82831620
1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene
CID 5105675
1-bromo-4-(3,3-dimethylbutoxymethyl)benzene
CID 66225376
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
2-[(4-bromophenyl)methoxy]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 58354452
3-(4-bromophenyl)-2-methyl-2-phenylmethoxypropanoic acid
CID 67305553
(2S)-3-(4-bromophenyl)-2-methyl-2-phenylmethoxypropanoic acid
CID 67304966
3-[(4-bromophenyl)methoxy]-2,2-dimethylpropane-1-thiol
CID 82827410
methyl 2-[(4-bromophenyl)methoxy]-2-methyl-3-(methylamino)-3-oxopropanoate
CID 58354422
2-[(4-bromophenyl)methoxy]-3,3-dimethylbutan-1-amine
CID 82828053
1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 12709980

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene?
The IUPAC name of 1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene (CID 154634128) is 1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene?
The canonical SMILES for 1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene is CC(C)(OCc1ccc(Br)cc1)OCc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene?
The InChIKey is DBSLZCHKEQANEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2O2/c1-17(2,20-11-13-3-7-15(18)8-4-13)21-12-14-5-9-16(19)10-6-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene?
1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene has a molecular weight of 414.14 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene is sourced from PubChem (CID 154634128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).