1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene

C17H17Br — CID 89447294

IUPAC1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene
SMILESCCC1(c2ccc(-c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C17H17Br/c1-2-17(11-12-17)15-7-3-13(4-8-15)14-5-9-16(18)10-6-14/h3-10H,2,11-12H2,1H3
InChIKeyVNCDRTSCGUYLNF-UHFFFAOYSA-N
MW301.23 g/mol
LogP5.56
Rot. Bonds3

About 1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene

1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene (PubChem CID 89447294) has the molecular formula C17H17Br and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene
PubChem CID89447294
Molecular FormulaC17H17Br
Molecular Weight301.23 g/mol
Exact Mass300.05
IUPAC Name1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene
SMILESCCC1(c2ccc(-c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C17H17Br/c1-2-17(11-12-17)15-7-3-13(4-8-15)14-5-9-16(18)10-6-14/h3-10H,2,11-12H2,1H3
InChIKeyVNCDRTSCGUYLNF-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.23
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene?
The IUPAC name of 1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene (CID 89447294) is 1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene.
What is the SMILES notation for 1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene?
The canonical SMILES for 1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene is CCC1(c2ccc(-c3ccc(Br)cc3)cc2)CC1.
What is the InChIKey of 1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene?
The InChIKey is VNCDRTSCGUYLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br/c1-2-17(11-12-17)15-7-3-13(4-8-15)14-5-9-16(18)10-6-14/h3-10H,2,11-12H2,1H3.
What are the key properties of 1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene?
1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene has a molecular weight of 301.23 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-(1-ethylcyclopropyl)phenyl]benzene is sourced from PubChem (CID 89447294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).