(E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol

C23H21ClO2 — CID 101211783

IUPAC(E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol
SMILESCc1ccc(/C=C/C(O)(c2ccccc2)C(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H21ClO2/c1-17-7-9-18(10-8-17)15-16-23(26,20-5-3-2-4-6-20)22(25)19-11-13-21(24)14-12-19/h2-16,22,25-26H,1H3/b16-15+
InChIKeyBCWIAZDDENWLBF-FOCLMDBBSA-N
MW364.87 g/mol
LogP5.28
Rot. Bonds5

About (E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol

(E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol (PubChem CID 101211783) has the molecular formula C23H21ClO2 and a molecular weight of 364.87 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol
PubChem CID101211783
Molecular FormulaC23H21ClO2
Molecular Weight364.87 g/mol
Exact Mass364.12
IUPAC Name(E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol
SMILESCc1ccc(/C=C/C(O)(c2ccccc2)C(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H21ClO2/c1-17-7-9-18(10-8-17)15-16-23(26,20-5-3-2-4-6-20)22(25)19-11-13-21(24)14-12-19/h2-16,22,25-26H,1H3/b16-15+
InChIKeyBCWIAZDDENWLBF-FOCLMDBBSA-N
XLogP5.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.87
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol?
The IUPAC name of (E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol (CID 101211783) is (E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol?
The canonical SMILES for (E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol is Cc1ccc(/C=C/C(O)(c2ccccc2)C(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol?
The InChIKey is BCWIAZDDENWLBF-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H21ClO2/c1-17-7-9-18(10-8-17)15-16-23(26,20-5-3-2-4-6-20)22(25)19-11-13-21(24)14-12-19/h2-16,22,25-26H,1H3/b16-15+.
What are the key properties of (E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol?
(E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol has a molecular weight of 364.87 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-4-(4-methylphenyl)-2-phenylbut-3-ene-1,2-diol is sourced from PubChem (CID 101211783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).