3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one

C15H10O2 — CID 11481454

IUPAC3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one
SMILESO=C(C#Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C15H10O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-7,9-10,16H
InChIKeyXULZKFQKQWRFBM-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.63
Rot. Bonds1

About 3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one

3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one (PubChem CID 11481454) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one
PubChem CID11481454
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Name3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one
SMILESO=C(C#Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C15H10O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-7,9-10,16H
InChIKeyXULZKFQKQWRFBM-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl(213C)prop-2-yn-1-one
CID 101128988
benzene-1,4-diol;benzoic acid
CID 67019242
3-(3-bromophenyl)-1-phenylprop-2-yn-1-one
CID 13072742
1-(3-methylphenyl)-3-phenylprop-2-yn-1-one
CID 12660273
3-chloro-1-phenylprop-2-yn-1-one
CID 15335754
1-(4-nitrophenyl)-3-phenylprop-2-yn-1-one
CID 891179
3-(2-fluorophenyl)-1-phenylprop-2-yn-1-one
CID 134860458
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
[4-[4-(4-benzoylphenyl)buta-1,3-diynyl]phenyl]-phenylmethanone
CID 19870024
4-fluoro-1-phenylbut-2-yn-1-one
CID 67741597
1-phenylpenta-2,4-diyn-1-one
CID 592950
3-methoxy-1-phenylprop-2-yn-1-one
CID 154279908

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one?
The IUPAC name of 3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one (CID 11481454) is 3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one is O=C(C#Cc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one?
The InChIKey is XULZKFQKQWRFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-7,9-10,16H.
What are the key properties of 3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one?
3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one has a molecular weight of 222.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one is sourced from PubChem (CID 11481454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).