3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol

C22H22O — CID 102171856

IUPAC3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol
SMILESOC1C=C(CCCC#Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H22O/c23-22-16-13-19(17-22)8-4-1-3-7-18-11-14-21(15-12-18)20-9-5-2-6-10-20/h2,5-6,9-12,14-15,17,22-23H,1,4,8,13,16H2
InChIKeyBQEQTTMFTWOSTN-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.96
Rot. Bonds4

About 3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol

3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol (PubChem CID 102171856) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol
PubChem CID102171856
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol
SMILESOC1C=C(CCCC#Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H22O/c23-22-16-13-19(17-22)8-4-1-3-7-18-11-14-21(15-12-18)20-9-5-2-6-10-20/h2,5-6,9-12,14-15,17,22-23H,1,4,8,13,16H2
InChIKeyBQEQTTMFTWOSTN-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol?
The IUPAC name of 3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol (CID 102171856) is 3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol.
What is the SMILES notation for 3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol?
The canonical SMILES for 3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol is OC1C=C(CCCC#Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol?
The InChIKey is BQEQTTMFTWOSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c23-22-16-13-19(17-22)8-4-1-3-7-18-11-14-21(15-12-18)20-9-5-2-6-10-20/h2,5-6,9-12,14-15,17,22-23H,1,4,8,13,16H2.
What are the key properties of 3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol?
3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol has a molecular weight of 302.42 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-phenylphenyl)pent-4-ynyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 102171856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).