(Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol

C30H23ClO — CID 101410015

IUPAC(Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol
SMILESCC(O)(/C(=C(\C#Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H23ClO/c1-30(32,26-15-9-4-10-16-26)29(25-13-7-3-8-14-25)28(24-11-5-2-6-12-24)22-19-23-17-20-27(31)21-18-23/h2-18,20-21,32H,1H3/b29-28+
InChIKeyZUPQZDRGLILXCW-ZQHSETAFSA-N
MW434.97 g/mol
LogP7.21
Rot. Bonds4

About (Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol

(Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol (PubChem CID 101410015) has the molecular formula C30H23ClO and a molecular weight of 434.97 g/mol. Its IUPAC name is (Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol.

Molecular Properties

Compound Name(Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol
PubChem CID101410015
Molecular FormulaC30H23ClO
Molecular Weight434.97 g/mol
Exact Mass434.14
IUPAC Name(Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol
SMILESCC(O)(/C(=C(\C#Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H23ClO/c1-30(32,26-15-9-4-10-16-26)29(25-13-7-3-8-14-25)28(24-11-5-2-6-12-24)22-19-23-17-20-27(31)21-18-23/h2-18,20-21,32H,1H3/b29-28+
InChIKeyZUPQZDRGLILXCW-ZQHSETAFSA-N
XLogP7.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol
CID 6380826
1-(4-chlorophenyl)-1,3-diphenylprop-2-yn-1-ol
CID 46944475
4-(4-chlorophenyl)-2-methylbut-3-yn-2-ol
CID 11735713
(Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol
CID 101488163
(3S)-5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pent-4-yn-1-one
CID 162539740
tert-butyl 3-(4-chlorophenyl)prop-2-ynoate
CID 102407718
4-(3-chloro-4-fluorophenyl)-2-phenylbut-3-yn-2-ol
CID 146002834
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
1-chloro-4-[4-(2-phenylethynyl)phenyl]benzene
CID 69325008
(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
4-(4-methylsulfanylphenyl)-2-phenylbut-3-yn-2-ol
CID 146003701
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one
CID 43160394

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol?
The IUPAC name of (Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol (CID 101410015) is (Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol.
What is the SMILES notation for (Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol?
The canonical SMILES for (Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol is CC(O)(/C(=C(\C#Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol?
The InChIKey is ZUPQZDRGLILXCW-ZQHSETAFSA-N. The full InChI is InChI=1S/C30H23ClO/c1-30(32,26-15-9-4-10-16-26)29(25-13-7-3-8-14-25)28(24-11-5-2-6-12-24)22-19-23-17-20-27(31)21-18-23/h2-18,20-21,32H,1H3/b29-28+.
What are the key properties of (Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol?
(Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol has a molecular weight of 434.97 g/mol, XLogP of 7.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(4-chlorophenyl)-2,3,4-triphenylhex-3-en-5-yn-2-ol is sourced from PubChem (CID 101410015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).