3-(1-phenylbut-1-en-2-yl)phenol

C16H16O — CID 91153074

IUPAC3-(1-phenylbut-1-en-2-yl)phenol
SMILESCCC(=Cc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C16H16O/c1-2-14(11-13-7-4-3-5-8-13)15-9-6-10-16(17)12-15/h3-12,17H,2H2,1H3
InChIKeyPFQWUGSMNWIXEF-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.34
Rot. Bonds3

About 3-(1-phenylbut-1-en-2-yl)phenol

3-(1-phenylbut-1-en-2-yl)phenol (PubChem CID 91153074) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(1-phenylbut-1-en-2-yl)phenol.

Molecular Properties

Compound Name3-(1-phenylbut-1-en-2-yl)phenol
PubChem CID91153074
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name3-(1-phenylbut-1-en-2-yl)phenol
SMILESCCC(=Cc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C16H16O/c1-2-14(11-13-7-4-3-5-8-13)15-9-6-10-16(17)12-15/h3-12,17H,2H2,1H3
InChIKeyPFQWUGSMNWIXEF-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylbut-1-en-2-yl)phenol?
The IUPAC name of 3-(1-phenylbut-1-en-2-yl)phenol (CID 91153074) is 3-(1-phenylbut-1-en-2-yl)phenol.
What is the SMILES notation for 3-(1-phenylbut-1-en-2-yl)phenol?
The canonical SMILES for 3-(1-phenylbut-1-en-2-yl)phenol is CCC(=Cc1ccccc1)c1cccc(O)c1.
What is the InChIKey of 3-(1-phenylbut-1-en-2-yl)phenol?
The InChIKey is PFQWUGSMNWIXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-2-14(11-13-7-4-3-5-8-13)15-9-6-10-16(17)12-15/h3-12,17H,2H2,1H3.
What are the key properties of 3-(1-phenylbut-1-en-2-yl)phenol?
3-(1-phenylbut-1-en-2-yl)phenol has a molecular weight of 224.30 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylbut-1-en-2-yl)phenol is sourced from PubChem (CID 91153074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).