1-(3-bromophenyl)-4-(3-ethylphenyl)benzene

C20H17Br — CID 143388635

IUPAC1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
SMILESCCc1cccc(-c2ccc(-c3cccc(Br)c3)cc2)c1
InChIInChI=1S/C20H17Br/c1-2-15-5-3-6-18(13-15)16-9-11-17(12-10-16)19-7-4-8-20(21)14-19/h3-14H,2H2,1H3
InChIKeyRSCBHVZWLKWKAS-UHFFFAOYSA-N
MW337.26 g/mol
LogP6.35
Rot. Bonds3

About 1-(3-bromophenyl)-4-(3-ethylphenyl)benzene

1-(3-bromophenyl)-4-(3-ethylphenyl)benzene (PubChem CID 143388635) has the molecular formula C20H17Br and a molecular weight of 337.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-(3-ethylphenyl)benzene.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
PubChem CID143388635
Molecular FormulaC20H17Br
Molecular Weight337.26 g/mol
Exact Mass336.05
IUPAC Name1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
SMILESCCc1cccc(-c2ccc(-c3cccc(Br)c3)cc2)c1
InChIInChI=1S/C20H17Br/c1-2-15-5-3-6-18(13-15)16-9-11-17(12-10-16)19-7-4-8-20(21)14-19/h3-14H,2H2,1H3
InChIKeyRSCBHVZWLKWKAS-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.26
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3-ethylbenzene;ethane
CID 143778556
1-bromo-3-ethylbenzene;methane
CID 158533972
1-ethyl-3-phenylbenzene;propane
CID 145466525
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-ethyl-3-[4-(iodomethyl)phenyl]benzene
CID 138533012
1-bromo-3-(4-butylphenyl)benzene
CID 83666147
1-bromo-3-phenylbenzene;ethane
CID 163977967
1-bromo-3-phenylbenzene
CID 16449
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
1-bromo-4-ethyl-2-(3-ethylphenyl)benzene
CID 142855411
4-(3-ethylphenyl)benzamide
CID 54454087
1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
CID 71132921

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-(3-ethylphenyl)benzene?
The IUPAC name of 1-(3-bromophenyl)-4-(3-ethylphenyl)benzene (CID 143388635) is 1-(3-bromophenyl)-4-(3-ethylphenyl)benzene.
What is the SMILES notation for 1-(3-bromophenyl)-4-(3-ethylphenyl)benzene?
The canonical SMILES for 1-(3-bromophenyl)-4-(3-ethylphenyl)benzene is CCc1cccc(-c2ccc(-c3cccc(Br)c3)cc2)c1.
What is the InChIKey of 1-(3-bromophenyl)-4-(3-ethylphenyl)benzene?
The InChIKey is RSCBHVZWLKWKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Br/c1-2-15-5-3-6-18(13-15)16-9-11-17(12-10-16)19-7-4-8-20(21)14-19/h3-14H,2H2,1H3.
What are the key properties of 1-(3-bromophenyl)-4-(3-ethylphenyl)benzene?
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene has a molecular weight of 337.26 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-(3-ethylphenyl)benzene is sourced from PubChem (CID 143388635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).