4-[(Z)-1,2-diphenylbut-1-enyl]phenol

C22H20O — CID 6366969

IUPAC4-[(Z)-1,2-diphenylbut-1-enyl]phenol
SMILESCC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C22H20O/c1-2-21(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)19-13-15-20(23)16-14-19/h3-16,23H,2H2,1H3/b22-21-
InChIKeyYJVFSITVRZYTHO-DQRAZIAOSA-N
MW300.40 g/mol
LogP5.76
Rot. Bonds4

About 4-[(Z)-1,2-diphenylbut-1-enyl]phenol

4-[(Z)-1,2-diphenylbut-1-enyl]phenol (PubChem CID 6366969) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[(Z)-1,2-diphenylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-1,2-diphenylbut-1-enyl]phenol
PubChem CID6366969
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name4-[(Z)-1,2-diphenylbut-1-enyl]phenol
SMILESCC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C22H20O/c1-2-21(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)19-13-15-20(23)16-14-19/h3-16,23H,2H2,1H3/b22-21-
InChIKeyYJVFSITVRZYTHO-DQRAZIAOSA-N
XLogP5.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.76
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 4-[(Z)-1,2-diphenylbut-1-enyl]phenol?
The IUPAC name of 4-[(Z)-1,2-diphenylbut-1-enyl]phenol (CID 6366969) is 4-[(Z)-1,2-diphenylbut-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-1,2-diphenylbut-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-1,2-diphenylbut-1-enyl]phenol is CC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-1,2-diphenylbut-1-enyl]phenol?
The InChIKey is YJVFSITVRZYTHO-DQRAZIAOSA-N. The full InChI is InChI=1S/C22H20O/c1-2-21(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)19-13-15-20(23)16-14-19/h3-16,23H,2H2,1H3/b22-21-.
What are the key properties of 4-[(Z)-1,2-diphenylbut-1-enyl]phenol?
4-[(Z)-1,2-diphenylbut-1-enyl]phenol has a molecular weight of 300.40 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1,2-diphenylbut-1-enyl]phenol is sourced from PubChem (CID 6366969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).