1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene

C13H10BrCl — CID 96642290

IUPAC1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
SMILESClc1ccc([C@H](Br)c2ccccc2)cc1
InChIInChI=1S/C13H10BrCl/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11/h1-9,13H/t13-/m1/s1
InChIKeyMPUGMNSVMMFEOE-CYBMUJFWSA-N
MW281.58 g/mol
LogP4.82
Rot. Bonds2

About 1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene

1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene (PubChem CID 96642290) has the molecular formula C13H10BrCl and a molecular weight of 281.58 g/mol. Its IUPAC name is 1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
PubChem CID96642290
Molecular FormulaC13H10BrCl
Molecular Weight281.58 g/mol
Exact Mass279.97
IUPAC Name1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
SMILESClc1ccc([C@H](Br)c2ccccc2)cc1
InChIInChI=1S/C13H10BrCl/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11/h1-9,13H/t13-/m1/s1
InChIKeyMPUGMNSVMMFEOE-CYBMUJFWSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.58
LogP ≤ 54.82
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-Chloro-4-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene
CID 3036
P,P'-dde
CID 3035
O,P'-Dde
CID 246598
4-Chlorobiphenyl
CID 16323
2,4'-Dichlorobiphenyl
CID 36982
p,p'-DDMS
CID 17532
4,4'-Dichlorobiphenyl
CID 16308
3,4'-Dichlorobiphenyl
CID 18101
4,4'-Dichlorodiphenylmethane
CID 7576
1-Chloro-2,2-bis(4-chlorophenyl)ethylene
CID 98491
Bromodiphenylmethane
CID 236603
1,1-Bis(4-chlorophenyl)ethylene
CID 94775

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene?
The IUPAC name of 1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene (CID 96642290) is 1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene.
What is the SMILES notation for 1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene?
The canonical SMILES for 1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene is Clc1ccc([C@H](Br)c2ccccc2)cc1.
What is the InChIKey of 1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene?
The InChIKey is MPUGMNSVMMFEOE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H10BrCl/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11/h1-9,13H/t13-/m1/s1.
What are the key properties of 1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene?
1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene has a molecular weight of 281.58 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene is sourced from PubChem (CID 96642290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).