(E)-4-(4-bromophenyl)but-3-en-2-ol

C10H11BrO — CID 12045295

IUPAC(E)-4-(4-bromophenyl)but-3-en-2-ol
SMILESCC(O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-8,12H,1H3/b3-2+
InChIKeyQVAMPRCBAQIQBI-NSCUHMNNSA-N
MW227.10 g/mol
LogP2.84
Rot. Bonds2

About (E)-4-(4-bromophenyl)but-3-en-2-ol

(E)-4-(4-bromophenyl)but-3-en-2-ol (PubChem CID 12045295) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is (E)-4-(4-bromophenyl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(4-bromophenyl)but-3-en-2-ol
PubChem CID12045295
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name(E)-4-(4-bromophenyl)but-3-en-2-ol
SMILESCC(O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-8,12H,1H3/b3-2+
InChIKeyQVAMPRCBAQIQBI-NSCUHMNNSA-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)-4-(4-bromophenyl)but-3-en-2-ol?
The IUPAC name of (E)-4-(4-bromophenyl)but-3-en-2-ol (CID 12045295) is (E)-4-(4-bromophenyl)but-3-en-2-ol.
What is the SMILES notation for (E)-4-(4-bromophenyl)but-3-en-2-ol?
The canonical SMILES for (E)-4-(4-bromophenyl)but-3-en-2-ol is CC(O)/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-4-(4-bromophenyl)but-3-en-2-ol?
The InChIKey is QVAMPRCBAQIQBI-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11BrO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-8,12H,1H3/b3-2+.
What are the key properties of (E)-4-(4-bromophenyl)but-3-en-2-ol?
(E)-4-(4-bromophenyl)but-3-en-2-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)-4-(4-bromophenyl)but-3-en-2-ol is sourced from PubChem (CID 12045295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).