4-phenylbut-3-en-2-ol

C10H12O — CID 15172

IUPAC4-phenylbut-3-en-2-ol
SMILESCC(O)C=Cc1ccccc1
InChIInChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3
InChIKeyZIJWGEHOVHJHKB-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.08
Rot. Bonds2

About 4-phenylbut-3-en-2-ol

4-phenylbut-3-en-2-ol (PubChem CID 15172) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name4-phenylbut-3-en-2-ol
PubChem CID15172
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name4-phenylbut-3-en-2-ol
SMILESCC(O)C=Cc1ccccc1
InChIInChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3
InChIKeyZIJWGEHOVHJHKB-UHFFFAOYSA-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 4-phenylbut-3-en-2-ol?
The IUPAC name of 4-phenylbut-3-en-2-ol (CID 15172) is 4-phenylbut-3-en-2-ol.
What is the SMILES notation for 4-phenylbut-3-en-2-ol?
The canonical SMILES for 4-phenylbut-3-en-2-ol is CC(O)C=Cc1ccccc1.
What is the InChIKey of 4-phenylbut-3-en-2-ol?
The InChIKey is ZIJWGEHOVHJHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3.
What are the key properties of 4-phenylbut-3-en-2-ol?
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 4-phenylbut-3-en-2-ol is sourced from PubChem (CID 15172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).