(Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol

C29H26O2 — CID 135062666

IUPAC(Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol
SMILESOC(/C=C(/C#CC1=CCCCC1)Oc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26O2/c30-29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)23-28(31-27-19-11-4-12-20-27)22-21-24-13-5-1-6-14-24/h2-4,7-13,15-20,23,30H,1,5-6,14H2/b28-23-
InChIKeyCBMOKGMADPWSMU-NFFVHWSESA-N
MW406.53 g/mol
LogP6.39
Rot. Bonds5

About (Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol

(Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol (PubChem CID 135062666) has the molecular formula C29H26O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is (Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol
PubChem CID135062666
Molecular FormulaC29H26O2
Molecular Weight406.53 g/mol
Exact Mass406.19
IUPAC Name(Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol
SMILESOC(/C=C(/C#CC1=CCCCC1)Oc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26O2/c30-29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)23-28(31-27-19-11-4-12-20-27)22-21-24-13-5-1-6-14-24/h2-4,7-13,15-20,23,30H,1,5-6,14H2/b28-23-
InChIKeyCBMOKGMADPWSMU-NFFVHWSESA-N
XLogP6.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol?
The IUPAC name of (Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol (CID 135062666) is (Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol.
What is the SMILES notation for (Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol?
The canonical SMILES for (Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol is OC(/C=C(/C#CC1=CCCCC1)Oc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol?
The InChIKey is CBMOKGMADPWSMU-NFFVHWSESA-N. The full InChI is InChI=1S/C29H26O2/c30-29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)23-28(31-27-19-11-4-12-20-27)22-21-24-13-5-1-6-14-24/h2-4,7-13,15-20,23,30H,1,5-6,14H2/b28-23-.
What are the key properties of (Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol?
(Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol has a molecular weight of 406.53 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(cyclohexen-1-yl)-3-phenoxy-1,1-diphenylpent-2-en-4-yn-1-ol is sourced from PubChem (CID 135062666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).