4-[(Z)-1-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol

C22H20O2 — CID 46205148

IUPAC4-[(Z)-1-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol
SMILESCC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C22H20O2/c1-2-21(16-8-12-19(23)13-9-16)22(17-6-4-3-5-7-17)18-10-14-20(24)15-11-18/h3-15,23-24H,2H2,1H3/b22-21-
InChIKeyVKDORJOTIYXNSN-DQRAZIAOSA-N
MW316.40 g/mol
LogP5.47
Rot. Bonds4

About 4-[(Z)-1-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol

4-[(Z)-1-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol (PubChem CID 46205148) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[(Z)-1-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol.

Molecular Properties

Compound Name4-[(Z)-1-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol
PubChem CID46205148
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name4-[(Z)-1-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol
SMILESCC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C22H20O2/c1-2-21(16-8-12-19(23)13-9-16)22(17-6-4-3-5-7-17)18-10-14-20(24)15-11-18/h3-15,23-24H,2H2,1H3/b22-21-
InChIKeyVKDORJOTIYXNSN-DQRAZIAOSA-N
XLogP5.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol?
The IUPAC name of 4-[(Z)-1-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol (CID 46205148) is 4-[(Z)-1-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol.
What is the SMILES notation for 4-[(Z)-1-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol?
The canonical SMILES for 4-[(Z)-1-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol is CC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-1-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol?
The InChIKey is VKDORJOTIYXNSN-DQRAZIAOSA-N. The full InChI is InChI=1S/C22H20O2/c1-2-21(16-8-12-19(23)13-9-16)22(17-6-4-3-5-7-17)18-10-14-20(24)15-11-18/h3-15,23-24H,2H2,1H3/b22-21-.
What are the key properties of 4-[(Z)-1-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol?
4-[(Z)-1-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol has a molecular weight of 316.40 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-(4-hydroxyphenyl)-1-phenylbut-1-en-2-yl]phenol is sourced from PubChem (CID 46205148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).