(E)-3-(3-bromophenyl)but-2-en-1-ol

C10H11BrO — CID 59305352

IUPAC(E)-3-(3-bromophenyl)but-2-en-1-ol
SMILESC/C(=C\CO)c1cccc(Br)c1
InChIInChI=1S/C10H11BrO/c1-8(5-6-12)9-3-2-4-10(11)7-9/h2-5,7,12H,6H2,1H3/b8-5+
InChIKeyIFHIZBLVFTYMIL-VMPITWQZSA-N
MW227.10 g/mol
LogP2.84
Rot. Bonds2

About (E)-3-(3-bromophenyl)but-2-en-1-ol

(E)-3-(3-bromophenyl)but-2-en-1-ol (PubChem CID 59305352) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)but-2-en-1-ol
PubChem CID59305352
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name(E)-3-(3-bromophenyl)but-2-en-1-ol
SMILESC/C(=C\CO)c1cccc(Br)c1
InChIInChI=1S/C10H11BrO/c1-8(5-6-12)9-3-2-4-10(11)7-9/h2-5,7,12H,6H2,1H3/b8-5+
InChIKeyIFHIZBLVFTYMIL-VMPITWQZSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)but-2-en-1-ol?
The IUPAC name of (E)-3-(3-bromophenyl)but-2-en-1-ol (CID 59305352) is (E)-3-(3-bromophenyl)but-2-en-1-ol.
What is the SMILES notation for (E)-3-(3-bromophenyl)but-2-en-1-ol?
The canonical SMILES for (E)-3-(3-bromophenyl)but-2-en-1-ol is C/C(=C\CO)c1cccc(Br)c1.
What is the InChIKey of (E)-3-(3-bromophenyl)but-2-en-1-ol?
The InChIKey is IFHIZBLVFTYMIL-VMPITWQZSA-N. The full InChI is InChI=1S/C10H11BrO/c1-8(5-6-12)9-3-2-4-10(11)7-9/h2-5,7,12H,6H2,1H3/b8-5+.
What are the key properties of (E)-3-(3-bromophenyl)but-2-en-1-ol?
(E)-3-(3-bromophenyl)but-2-en-1-ol has a molecular weight of 227.10 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromophenyl)but-2-en-1-ol is sourced from PubChem (CID 59305352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).