1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene

C20H24Br2O — CID 67313726

IUPAC1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene
SMILESCCC(Cc1cccc(Br)c1)OC(CC)Cc1cccc(Br)c1
InChIInChI=1S/C20H24Br2O/c1-3-19(13-15-7-5-9-17(21)11-15)23-20(4-2)14-16-8-6-10-18(22)12-16/h5-12,19-20H,3-4,13-14H2,1-2H3
InChIKeyNFUNIVOSCWCWMO-UHFFFAOYSA-N
MW440.22 g/mol
LogP6.57
Rot. Bonds8

About 1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene

1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene (PubChem CID 67313726) has the molecular formula C20H24Br2O and a molecular weight of 440.22 g/mol. Its IUPAC name is 1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene
PubChem CID67313726
Molecular FormulaC20H24Br2O
Molecular Weight440.22 g/mol
Exact Mass438.02
IUPAC Name1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene
SMILESCCC(Cc1cccc(Br)c1)OC(CC)Cc1cccc(Br)c1
InChIInChI=1S/C20H24Br2O/c1-3-19(13-15-7-5-9-17(21)11-15)23-20(4-2)14-16-8-6-10-18(22)12-16/h5-12,19-20H,3-4,13-14H2,1-2H3
InChIKeyNFUNIVOSCWCWMO-UHFFFAOYSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.22
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-[2-(bromomethyl)butyl]benzene
CID 66041649
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934
1-(3-bromophenyl)-4-ethylhexan-2-ol
CID 82919634
2-[(3-bromophenyl)methyl]-4-ethylhexan-1-ol
CID 82934582
1-bromo-3-ethylbenzene;ethane
CID 143778556
1-bromo-3-ethylbenzene;methane
CID 158533972
1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715692
1-bromo-3-(2-bromo-3,3-dimethylbutyl)benzene
CID 63530904
1-(3-bromophenyl)-3-ethoxybutan-2-amine
CID 64540486
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
1-(3-bromophenyl)-N-ethyl-3-phenylpentan-2-amine
CID 115788902

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene?
The IUPAC name of 1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene (CID 67313726) is 1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene.
What is the SMILES notation for 1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene?
The canonical SMILES for 1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene is CCC(Cc1cccc(Br)c1)OC(CC)Cc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene?
The InChIKey is NFUNIVOSCWCWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Br2O/c1-3-19(13-15-7-5-9-17(21)11-15)23-20(4-2)14-16-8-6-10-18(22)12-16/h5-12,19-20H,3-4,13-14H2,1-2H3.
What are the key properties of 1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene?
1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene has a molecular weight of 440.22 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene is sourced from PubChem (CID 67313726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).