2-[(E)-2-(4-bromophenyl)ethenyl]phenol

C14H11BrO — CID 5377972

IUPAC2-[(E)-2-(4-bromophenyl)ethenyl]phenol
SMILESOc1ccccc1/C=C/c1ccc(Br)cc1
InChIInChI=1S/C14H11BrO/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-10,16H/b8-5+
InChIKeyUAHNYHOIADLIJY-VMPITWQZSA-N
MW275.15 g/mol
LogP4.33
Rot. Bonds2

About 2-[(E)-2-(4-bromophenyl)ethenyl]phenol

2-[(E)-2-(4-bromophenyl)ethenyl]phenol (PubChem CID 5377972) has the molecular formula C14H11BrO and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-[(E)-2-(4-bromophenyl)ethenyl]phenol.

Molecular Properties

Compound Name2-[(E)-2-(4-bromophenyl)ethenyl]phenol
PubChem CID5377972
Molecular FormulaC14H11BrO
Molecular Weight275.15 g/mol
Exact Mass274.00
IUPAC Name2-[(E)-2-(4-bromophenyl)ethenyl]phenol
SMILESOc1ccccc1/C=C/c1ccc(Br)cc1
InChIInChI=1S/C14H11BrO/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-10,16H/b8-5+
InChIKeyUAHNYHOIADLIJY-VMPITWQZSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 7017
CID 7017
CID 16919
CID 16919
CID 135442
CID 135442
CID 24216
CID 24216
CID 16896
CID 16896
CID 27297
CID 27297
CID 95093
CID 95093
CID 5704879
CID 5704879
CID 66691
CID 66691
CID 3061033
CID 3061033
CID 18475115
CID 18475115
CID 228638
CID 228638

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-bromophenyl)ethenyl]phenol?
The IUPAC name of 2-[(E)-2-(4-bromophenyl)ethenyl]phenol (CID 5377972) is 2-[(E)-2-(4-bromophenyl)ethenyl]phenol.
What is the SMILES notation for 2-[(E)-2-(4-bromophenyl)ethenyl]phenol?
The canonical SMILES for 2-[(E)-2-(4-bromophenyl)ethenyl]phenol is Oc1ccccc1/C=C/c1ccc(Br)cc1.
What is the InChIKey of 2-[(E)-2-(4-bromophenyl)ethenyl]phenol?
The InChIKey is UAHNYHOIADLIJY-VMPITWQZSA-N. The full InChI is InChI=1S/C14H11BrO/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-10,16H/b8-5+.
What are the key properties of 2-[(E)-2-(4-bromophenyl)ethenyl]phenol?
2-[(E)-2-(4-bromophenyl)ethenyl]phenol has a molecular weight of 275.15 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-bromophenyl)ethenyl]phenol is sourced from PubChem (CID 5377972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).