1,2-bis(1-bromoethyl)-3-phenylbenzene

C16H16Br2 — CID 175283947

IUPAC1,2-bis(1-bromoethyl)-3-phenylbenzene
SMILESCC(Br)c1cccc(-c2ccccc2)c1C(C)Br
InChIInChI=1S/C16H16Br2/c1-11(17)14-9-6-10-15(16(14)12(2)18)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyUZNIJWZNBBTQJY-UHFFFAOYSA-N
MW368.11 g/mol
LogP6.27
Rot. Bonds3

About 1,2-bis(1-bromoethyl)-3-phenylbenzene

1,2-bis(1-bromoethyl)-3-phenylbenzene (PubChem CID 175283947) has the molecular formula C16H16Br2 and a molecular weight of 368.11 g/mol. Its IUPAC name is 1,2-bis(1-bromoethyl)-3-phenylbenzene.

Molecular Properties

Compound Name1,2-bis(1-bromoethyl)-3-phenylbenzene
PubChem CID175283947
Molecular FormulaC16H16Br2
Molecular Weight368.11 g/mol
Exact Mass365.96
IUPAC Name1,2-bis(1-bromoethyl)-3-phenylbenzene
SMILESCC(Br)c1cccc(-c2ccccc2)c1C(C)Br
InChIInChI=1S/C16H16Br2/c1-11(17)14-9-6-10-15(16(14)12(2)18)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyUZNIJWZNBBTQJY-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.11
LogP ≤ 56.27
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

ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
1,2-diphenyl-3-propan-2-ylbenzene
CID 20568657
1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene
CID 91401527
1-(1-bromoethyl)anthracene-9,10-dione
CID 23511068
boric acid;1-(2-phenylphenyl)ethanamine
CID 175210638
1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene
CID 139700110
1-(3-phenyl-2-propan-2-ylphenyl)ethanone
CID 139652419
2-(5-phenylnaphthalen-1-yl)propanoic acid
CID 21450414
isocyanic acid;1-phenyl-2-propan-2-ylbenzene
CID 174621079
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
2-(2-amino-3-phenylphenyl)propanoic acid
CID 68810052
CID 69011285
CID 69011285

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1-bromoethyl)-3-phenylbenzene?
The IUPAC name of 1,2-bis(1-bromoethyl)-3-phenylbenzene (CID 175283947) is 1,2-bis(1-bromoethyl)-3-phenylbenzene.
What is the SMILES notation for 1,2-bis(1-bromoethyl)-3-phenylbenzene?
The canonical SMILES for 1,2-bis(1-bromoethyl)-3-phenylbenzene is CC(Br)c1cccc(-c2ccccc2)c1C(C)Br.
What is the InChIKey of 1,2-bis(1-bromoethyl)-3-phenylbenzene?
The InChIKey is UZNIJWZNBBTQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2/c1-11(17)14-9-6-10-15(16(14)12(2)18)13-7-4-3-5-8-13/h3-12H,1-2H3.
What are the key properties of 1,2-bis(1-bromoethyl)-3-phenylbenzene?
1,2-bis(1-bromoethyl)-3-phenylbenzene has a molecular weight of 368.11 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1-bromoethyl)-3-phenylbenzene is sourced from PubChem (CID 175283947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).