4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene

C18H19BrCl2 — CID 63445108

IUPAC4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene
SMILESCCC(C)C(c1ccccc1)C(Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19BrCl2/c1-3-12(2)17(13-7-5-4-6-8-13)18(19)14-9-10-15(20)16(21)11-14/h4-12,17-18H,3H2,1-2H3
InChIKeyMUVLOZLIGPSHCI-UHFFFAOYSA-N
MW386.16 g/mol
LogP7.26
Rot. Bonds5

About 4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene

4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene (PubChem CID 63445108) has the molecular formula C18H19BrCl2 and a molecular weight of 386.16 g/mol. Its IUPAC name is 4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene
PubChem CID63445108
Molecular FormulaC18H19BrCl2
Molecular Weight386.16 g/mol
Exact Mass384.00
IUPAC Name4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene
SMILESCCC(C)C(c1ccccc1)C(Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19BrCl2/c1-3-12(2)17(13-7-5-4-6-8-13)18(19)14-9-10-15(20)16(21)11-14/h4-12,17-18H,3H2,1-2H3
InChIKeyMUVLOZLIGPSHCI-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.16
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol
CID 55197519
(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
3-bromo-2-(1-bromo-3-methyl-2-phenylpentyl)-5-methylthiophene
CID 65278191
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
CID 43102306
1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 43492837
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine
CID 43779041
(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine
CID 26249036
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N-(1-phenylpropan-2-yl)propan-1-amine
CID 63462746
4-(2-bromo-3-methylpentyl)-1,2-dichlorobenzene
CID 63529593

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene?
The IUPAC name of 4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene (CID 63445108) is 4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene.
What is the SMILES notation for 4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene?
The canonical SMILES for 4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene is CCC(C)C(c1ccccc1)C(Br)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene?
The InChIKey is MUVLOZLIGPSHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrCl2/c1-3-12(2)17(13-7-5-4-6-8-13)18(19)14-9-10-15(20)16(21)11-14/h4-12,17-18H,3H2,1-2H3.
What are the key properties of 4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene?
4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene has a molecular weight of 386.16 g/mol, XLogP of 7.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromo-3-methyl-2-phenylpentyl)-1,2-dichlorobenzene is sourced from PubChem (CID 63445108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).