(E)-3-(4-bromophenyl)prop-2-en-1-ol

C9H9BrO — CID 11183465

IUPAC(E)-3-(4-bromophenyl)prop-2-en-1-ol
SMILESOC/C=C/c1ccc(Br)cc1
InChIInChI=1S/C9H9BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6,11H,7H2/b2-1+
InChIKeyDLEIRQMIYDUVBY-OWOJBTEDSA-N
MW213.07 g/mol
LogP2.45
Rot. Bonds2

About (E)-3-(4-bromophenyl)prop-2-en-1-ol

(E)-3-(4-bromophenyl)prop-2-en-1-ol (PubChem CID 11183465) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)prop-2-en-1-ol
PubChem CID11183465
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name(E)-3-(4-bromophenyl)prop-2-en-1-ol
SMILESOC/C=C/c1ccc(Br)cc1
InChIInChI=1S/C9H9BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6,11H,7H2/b2-1+
InChIKeyDLEIRQMIYDUVBY-OWOJBTEDSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(4-bromophenyl)prop-2-en-1-ol (CID 11183465) is (E)-3-(4-bromophenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-bromophenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-bromophenyl)prop-2-en-1-ol is OC/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)prop-2-en-1-ol?
The InChIKey is DLEIRQMIYDUVBY-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H9BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6,11H,7H2/b2-1+.
What are the key properties of (E)-3-(4-bromophenyl)prop-2-en-1-ol?
(E)-3-(4-bromophenyl)prop-2-en-1-ol has a molecular weight of 213.07 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)prop-2-en-1-ol is sourced from PubChem (CID 11183465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).