4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one

C12H13O3P — CID 71196694

IUPAC4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one
SMILESO=C1CC(O)C=C1Cc1cccc(OP)c1
InChIInChI=1S/C12H13O3P/c13-10-6-9(12(14)7-10)4-8-2-1-3-11(5-8)15-16/h1-3,5-6,10,13H,4,7,16H2
InChIKeyXUHCJAZTROEHPR-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.66
Rot. Bonds3

About 4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one

4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one (PubChem CID 71196694) has the molecular formula C12H13O3P and a molecular weight of 236.21 g/mol. Its IUPAC name is 4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one
PubChem CID71196694
Molecular FormulaC12H13O3P
Molecular Weight236.21 g/mol
Exact Mass236.06
IUPAC Name4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one
SMILESO=C1CC(O)C=C1Cc1cccc(OP)c1
InChIInChI=1S/C12H13O3P/c13-10-6-9(12(14)7-10)4-8-2-1-3-11(5-8)15-16/h1-3,5-6,10,13H,4,7,16H2
InChIKeyXUHCJAZTROEHPR-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-butoxyphenyl)methyl]-4-hydroxycyclopent-2-en-1-one
CID 71201528
4-[3-(methylaminomethyl)phenoxy]-1,1-dioxothiolan-3-ol
CID 60882599
4-(3-ethylphenoxy)-1,1-dioxothiolan-3-ol
CID 60877831
2-[1-hydroxy-2-(3-methoxyphenyl)ethylidene]cyclohexane-1,3-dione
CID 13464735
4-[[3-[3-[(4-hydroxyphenyl)methyl]phenoxy]phenyl]methyl]phenol
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2-[3-(cyclopropylmethoxy)phenyl]acetic acid
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[3-[3-(phosphanyloxymethyl)phenoxy]phenyl]methoxyphosphane
CID 57193803
3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 82481104
(3S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 932254
2-amino-4-[(3-methoxyphenyl)methyl]-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 69456140
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
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(3-cyclopropyloxyphenyl)methanol
CID 57336629

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one (CID 71196694) is 4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one is O=C1CC(O)C=C1Cc1cccc(OP)c1.
What is the InChIKey of 4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one?
The InChIKey is XUHCJAZTROEHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O3P/c13-10-6-9(12(14)7-10)4-8-2-1-3-11(5-8)15-16/h1-3,5-6,10,13H,4,7,16H2.
What are the key properties of 4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one?
4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one has a molecular weight of 236.21 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(3-phosphanyloxyphenyl)methyl]cyclopent-2-en-1-one is sourced from PubChem (CID 71196694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).