1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene

C19H16BrCl — CID 79433637

IUPAC1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene
SMILESClc1ccc(C(CBr)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C19H16BrCl/c20-13-17(14-8-10-18(21)11-9-14)12-16-6-3-5-15-4-1-2-7-19(15)16/h1-11,17H,12-13H2
InChIKeyHSQSXHPHOXTZMW-UHFFFAOYSA-N
MW359.69 g/mol
LogP6.21
Rot. Bonds4

About 1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene

1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene (PubChem CID 79433637) has the molecular formula C19H16BrCl and a molecular weight of 359.69 g/mol. Its IUPAC name is 1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene.

Molecular Properties

Compound Name1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene
PubChem CID79433637
Molecular FormulaC19H16BrCl
Molecular Weight359.69 g/mol
Exact Mass358.01
IUPAC Name1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene
SMILESClc1ccc(C(CBr)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C19H16BrCl/c20-13-17(14-8-10-18(21)11-9-14)12-16-6-3-5-15-4-1-2-7-19(15)16/h1-11,17H,12-13H2
InChIKeyHSQSXHPHOXTZMW-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.69
LogP ≤ 56.21
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-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
CID 79434327
1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene
CID 63543264
1-[3-bromo-2-(4-chlorophenyl)propyl]-2,3-difluorobenzene
CID 79435343
3-[3-bromo-2-(4-chlorophenyl)propyl]-1-benzothiophene
CID 79434965
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100
1-(3-bromo-2-phenylpropyl)-2-chlorobenzene
CID 66041463
1-[3-bromo-2-(4-chlorophenyl)propyl]-4-chloro-2-fluorobenzene
CID 114862057
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435232
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-methylbenzene
CID 79436619
1-[3-bromo-2-(4-bromophenyl)propyl]-2-chloro-3-fluorobenzene
CID 112654920
2-[3-bromo-2-(4-chlorophenyl)propyl]-1-chloro-3-fluorobenzene
CID 79435659
1-(3-bromo-2-phenylpropyl)-2-fluorobenzene
CID 66043262

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene?
The IUPAC name of 1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene (CID 79433637) is 1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene.
What is the SMILES notation for 1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene?
The canonical SMILES for 1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene is Clc1ccc(C(CBr)Cc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene?
The InChIKey is HSQSXHPHOXTZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrCl/c20-13-17(14-8-10-18(21)11-9-14)12-16-6-3-5-15-4-1-2-7-19(15)16/h1-11,17H,12-13H2.
What are the key properties of 1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene?
1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene has a molecular weight of 359.69 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene is sourced from PubChem (CID 79433637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).