(E)-4-phenylbut-3-en-2-ol

C10H12O — CID 5369489

IUPAC(E)-4-phenylbut-3-en-2-ol
SMILESCC(O)/C=C/c1ccccc1
InChIInChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3/b8-7+
InChIKeyZIJWGEHOVHJHKB-BQYQJAHWSA-N
MW148.20 g/mol
LogP2.08
Rot. Bonds2

About (E)-4-phenylbut-3-en-2-ol

(E)-4-phenylbut-3-en-2-ol (PubChem CID 5369489) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (E)-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-phenylbut-3-en-2-ol
PubChem CID5369489
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(E)-4-phenylbut-3-en-2-ol
SMILESCC(O)/C=C/c1ccccc1
InChIInChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3/b8-7+
InChIKeyZIJWGEHOVHJHKB-BQYQJAHWSA-N
XLogP2.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-phenylbut-3-en-2-ol?
The IUPAC name of (E)-4-phenylbut-3-en-2-ol (CID 5369489) is (E)-4-phenylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-phenylbut-3-en-2-ol?
The canonical SMILES for (E)-4-phenylbut-3-en-2-ol is CC(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-4-phenylbut-3-en-2-ol?
The InChIKey is ZIJWGEHOVHJHKB-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3/b8-7+.
What are the key properties of (E)-4-phenylbut-3-en-2-ol?
(E)-4-phenylbut-3-en-2-ol has a molecular weight of 148.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 5369489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).