2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol

C15H14O — CID 12977900

IUPAC2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol
SMILESCC(O)(C#Cc1ccccc1)C1C=CC=C1
InChIInChI=1S/C15H14O/c1-15(16,14-9-5-6-10-14)12-11-13-7-3-2-4-8-13/h2-10,14,16H,1H3
InChIKeyUJHFRULIUAVOMR-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.53
Rot. Bonds1

About 2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol

2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol (PubChem CID 12977900) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol
PubChem CID12977900
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol
SMILESCC(O)(C#Cc1ccccc1)C1C=CC=C1
InChIInChI=1S/C15H14O/c1-15(16,14-9-5-6-10-14)12-11-13-7-3-2-4-8-13/h2-10,14,16H,1H3
InChIKeyUJHFRULIUAVOMR-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-phenylbut-3-yn-2-ol
CID 143801475
1-cyclopenta-2,4-dien-1-yl-1-phenylethanol
CID 12574787
bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
2,4-diphenylbut-3-yn-2-ylbenzene
CID 13072781
(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)benzene
CID 141345975
2-methyl-1-(4-methylphenyl)-4-phenylbut-3-yn-2-ol
CID 11680385
(2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol
CID 11289604
3,3-dimethoxybut-1-ynylbenzene
CID 14492597
2-(2-phenylethynyl)propane-1,2,3-triol
CID 166174399
3-hydroxy-2,2-dimethyl-3,5-diphenylpent-4-ynoic acid
CID 102106699
(3S)-1,3-diphenylpent-1-yn-3-ol
CID 95185650
(2S)-2-naphthalen-2-yl-4-phenylbut-3-yn-2-ol
CID 40500418

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol?
The IUPAC name of 2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol (CID 12977900) is 2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol is CC(O)(C#Cc1ccccc1)C1C=CC=C1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol?
The InChIKey is UJHFRULIUAVOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-15(16,14-9-5-6-10-14)12-11-13-7-3-2-4-8-13/h2-10,14,16H,1H3.
What are the key properties of 2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol?
2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol has a molecular weight of 210.28 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol is sourced from PubChem (CID 12977900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).