2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene

C16H15BrCl2 — CID 55198580

IUPAC2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene
SMILESCCCc1ccc(C(Br)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H15BrCl2/c1-2-3-11-4-6-12(7-5-11)16(17)14-10-13(18)8-9-15(14)19/h4-10,16H,2-3H2,1H3
InChIKeyPPSDJDPHORCDKZ-UHFFFAOYSA-N
MW358.11 g/mol
LogP6.43
Rot. Bonds4

About 2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene

2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene (PubChem CID 55198580) has the molecular formula C16H15BrCl2 and a molecular weight of 358.11 g/mol. Its IUPAC name is 2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene.

Molecular Properties

Compound Name2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene
PubChem CID55198580
Molecular FormulaC16H15BrCl2
Molecular Weight358.11 g/mol
Exact Mass355.97
IUPAC Name2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene
SMILESCCCc1ccc(C(Br)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H15BrCl2/c1-2-3-11-4-6-12(7-5-11)16(17)14-10-13(18)8-9-15(14)19/h4-10,16H,2-3H2,1H3
InChIKeyPPSDJDPHORCDKZ-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.11
LogP ≤ 56.43
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

2-[bromo-(4-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63437551
1-[bromo-(4-propylphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863055
2-[bromo-(4-methoxyphenyl)methyl]-1,4-dichlorobenzene
CID 63436956
1-bromo-4-chloro-2-[chloro-(4-propylphenyl)methyl]benzene
CID 114027818
1-[bromo-(4-ethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319679
N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107987414
(2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine
CID 107987302
1-[bromo-(4-butylphenyl)methyl]-4-propylbenzene
CID 139632496
1-bromo-4-[bromo-(4-butylphenyl)methyl]-2-chlorobenzene
CID 81307567
1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63437653
5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63440957
1-[bromo-(4-propylphenyl)methyl]-2-iodo-3-methylbenzene
CID 114029495

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene?
The IUPAC name of 2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene (CID 55198580) is 2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene.
What is the SMILES notation for 2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene?
The canonical SMILES for 2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene is CCCc1ccc(C(Br)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene?
The InChIKey is PPSDJDPHORCDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2/c1-2-3-11-4-6-12(7-5-11)16(17)14-10-13(18)8-9-15(14)19/h4-10,16H,2-3H2,1H3.
What are the key properties of 2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene?
2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene has a molecular weight of 358.11 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-propylphenyl)methyl]-1,4-dichlorobenzene is sourced from PubChem (CID 55198580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).