(1-bromo-1-phenylethyl)benzene

C14H13Br — CID 19019197

IUPAC(1-bromo-1-phenylethyl)benzene
SMILESCC(Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13Br/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyWQJOSEVSASFCPR-UHFFFAOYSA-N
MW261.16 g/mol
LogP4.34
Rot. Bonds2

About (1-bromo-1-phenylethyl)benzene

(1-bromo-1-phenylethyl)benzene (PubChem CID 19019197) has the molecular formula C14H13Br and a molecular weight of 261.16 g/mol. Its IUPAC name is (1-bromo-1-phenylethyl)benzene.

Molecular Properties

Compound Name(1-bromo-1-phenylethyl)benzene
PubChem CID19019197
Molecular FormulaC14H13Br
Molecular Weight261.16 g/mol
Exact Mass260.02
IUPAC Name(1-bromo-1-phenylethyl)benzene
SMILESCC(Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13Br/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyWQJOSEVSASFCPR-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 54.34
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-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
tert-butylbenzene;chloromethane;ethane
CID 91149652
tert-butylbenzene;molecular nitrogen
CID 146464751
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
1,1-difluoroethylbenzene
CID 10942535
CID 177002326
CID 177002326
tert-butylbenzene;methanimine
CID 174908280
1,1-diphenylethanamine
CID 12761172
2-hydroperoxypropan-2-ylbenzene;hydrochloride
CID 174888264
bromo-methyl-bis(2-phenylpropan-2-yl)silane
CID 155648122

Frequently Asked Questions

What is the IUPAC name of (1-bromo-1-phenylethyl)benzene?
The IUPAC name of (1-bromo-1-phenylethyl)benzene (CID 19019197) is (1-bromo-1-phenylethyl)benzene.
What is the SMILES notation for (1-bromo-1-phenylethyl)benzene?
The canonical SMILES for (1-bromo-1-phenylethyl)benzene is CC(Br)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-bromo-1-phenylethyl)benzene?
The InChIKey is WQJOSEVSASFCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of (1-bromo-1-phenylethyl)benzene?
(1-bromo-1-phenylethyl)benzene has a molecular weight of 261.16 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-1-phenylethyl)benzene is sourced from PubChem (CID 19019197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).