1-(2-bromophenyl)-1-phenylprop-2-en-1-ol

C15H13BrO — CID 164665603

IUPAC1-(2-bromophenyl)-1-phenylprop-2-en-1-ol
SMILESC=CC(O)(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C15H13BrO/c1-2-15(17,12-8-4-3-5-9-12)13-10-6-7-11-14(13)16/h2-11,17H,1H2
InChIKeyBLUODUNSASURNJ-UHFFFAOYSA-N
MW289.17 g/mol
LogP3.87
Rot. Bonds3

About 1-(2-bromophenyl)-1-phenylprop-2-en-1-ol

1-(2-bromophenyl)-1-phenylprop-2-en-1-ol (PubChem CID 164665603) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-phenylprop-2-en-1-ol
PubChem CID164665603
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name1-(2-bromophenyl)-1-phenylprop-2-en-1-ol
SMILESC=CC(O)(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C15H13BrO/c1-2-15(17,12-8-4-3-5-9-12)13-10-6-7-11-14(13)16/h2-11,17H,1H2
InChIKeyBLUODUNSASURNJ-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-phenylprop-2-en-1-ol?
The IUPAC name of 1-(2-bromophenyl)-1-phenylprop-2-en-1-ol (CID 164665603) is 1-(2-bromophenyl)-1-phenylprop-2-en-1-ol.
What is the SMILES notation for 1-(2-bromophenyl)-1-phenylprop-2-en-1-ol?
The canonical SMILES for 1-(2-bromophenyl)-1-phenylprop-2-en-1-ol is C=CC(O)(c1ccccc1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-phenylprop-2-en-1-ol?
The InChIKey is BLUODUNSASURNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c1-2-15(17,12-8-4-3-5-9-12)13-10-6-7-11-14(13)16/h2-11,17H,1H2.
What are the key properties of 1-(2-bromophenyl)-1-phenylprop-2-en-1-ol?
1-(2-bromophenyl)-1-phenylprop-2-en-1-ol has a molecular weight of 289.17 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-phenylprop-2-en-1-ol is sourced from PubChem (CID 164665603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).