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

C30H29ClO — CID 101488163

IUPAC(Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol
SMILESCC(O)(/C(=C(\C#CC1CCCCC1)c1ccccc1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C30H29ClO/c1-30(32,27-19-11-12-20-28(27)31)29(25-17-9-4-10-18-25)26(24-15-7-3-8-16-24)22-21-23-13-5-2-6-14-23/h3-4,7-12,15-20,23,32H,2,5-6,13-14H2,1H3/b29-26+
InChIKeyPRTYMAYNOUVFBL-PBBVDAKRSA-N
MW441.01 g/mol
LogP7.74
Rot. Bonds4

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

(Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol (PubChem CID 101488163) has the molecular formula C30H29ClO and a molecular weight of 441.01 g/mol. Its IUPAC name is (Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol.

Molecular Properties

Compound Name(Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol
PubChem CID101488163
Molecular FormulaC30H29ClO
Molecular Weight441.01 g/mol
Exact Mass440.19
IUPAC Name(Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol
SMILESCC(O)(/C(=C(\C#CC1CCCCC1)c1ccccc1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C30H29ClO/c1-30(32,27-19-11-12-20-28(27)31)29(25-17-9-4-10-18-25)26(24-15-7-3-8-16-24)22-21-23-13-5-2-6-14-23/h3-4,7-12,15-20,23,32H,2,5-6,13-14H2,1H3/b29-26+
InChIKeyPRTYMAYNOUVFBL-PBBVDAKRSA-N
XLogP7.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.01
LogP ≤ 57.74
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

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(2S)-2-(2-chlorophenyl)but-3-en-2-ol
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(4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane
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1-cyclohexyl-1-(2-methylphenyl)ethanol
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CID 154717619

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol?
The IUPAC name of (Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol (CID 101488163) is (Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol.
What is the SMILES notation for (Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol?
The canonical SMILES for (Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol is CC(O)(/C(=C(\C#CC1CCCCC1)c1ccccc1)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of (Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol?
The InChIKey is PRTYMAYNOUVFBL-PBBVDAKRSA-N. The full InChI is InChI=1S/C30H29ClO/c1-30(32,27-19-11-12-20-28(27)31)29(25-17-9-4-10-18-25)26(24-15-7-3-8-16-24)22-21-23-13-5-2-6-14-23/h3-4,7-12,15-20,23,32H,2,5-6,13-14H2,1H3/b29-26+.
What are the key properties of (Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol?
(Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol has a molecular weight of 441.01 g/mol, XLogP of 7.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-chlorophenyl)-6-cyclohexyl-3,4-diphenylhex-3-en-5-yn-2-ol is sourced from PubChem (CID 101488163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).