phosphanyl 2-(4-hydroxyphenyl)propanoate

C9H11O3P — CID 121404304

IUPACphosphanyl 2-(4-hydroxyphenyl)propanoate
SMILESCC(C(=O)OP)c1ccc(O)cc1
InChIInChI=1S/C9H11O3P/c1-6(9(11)12-13)7-2-4-8(10)5-3-7/h2-6,10H,13H2,1H3
InChIKeyIQAGBVRTMBVSRR-UHFFFAOYSA-N
MW198.16 g/mol
LogP1.83
Rot. Bonds2

About phosphanyl 2-(4-hydroxyphenyl)propanoate

phosphanyl 2-(4-hydroxyphenyl)propanoate (PubChem CID 121404304) has the molecular formula C9H11O3P and a molecular weight of 198.16 g/mol. Its IUPAC name is phosphanyl 2-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namephosphanyl 2-(4-hydroxyphenyl)propanoate
PubChem CID121404304
Molecular FormulaC9H11O3P
Molecular Weight198.16 g/mol
Exact Mass198.04
IUPAC Namephosphanyl 2-(4-hydroxyphenyl)propanoate
SMILESCC(C(=O)OP)c1ccc(O)cc1
InChIInChI=1S/C9H11O3P/c1-6(9(11)12-13)7-2-4-8(10)5-3-7/h2-6,10H,13H2,1H3
InChIKeyIQAGBVRTMBVSRR-UHFFFAOYSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 51.83
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-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate
CID 21326469
(2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 86330548
[2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate
CID 54042669
ethyl 2-[2-(4-hydroxyphenyl)propanoyloxy]-3-oxobutanoate
CID 21326470
2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide
CID 66691200
(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine
CID 162087543
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate
CID 150736064
2-(4-hydroxyphenyl)-3-methylpentanoic acid
CID 83820428
methyl 2-amino-3-(4-hydroxyphenyl)butanoate
CID 83909294
methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 62393477
methyl 2-(4-aminophenyl)propanoate
CID 3016109

Frequently Asked Questions

What is the IUPAC name of phosphanyl 2-(4-hydroxyphenyl)propanoate?
The IUPAC name of phosphanyl 2-(4-hydroxyphenyl)propanoate (CID 121404304) is phosphanyl 2-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for phosphanyl 2-(4-hydroxyphenyl)propanoate?
The canonical SMILES for phosphanyl 2-(4-hydroxyphenyl)propanoate is CC(C(=O)OP)c1ccc(O)cc1.
What is the InChIKey of phosphanyl 2-(4-hydroxyphenyl)propanoate?
The InChIKey is IQAGBVRTMBVSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O3P/c1-6(9(11)12-13)7-2-4-8(10)5-3-7/h2-6,10H,13H2,1H3.
What are the key properties of phosphanyl 2-(4-hydroxyphenyl)propanoate?
phosphanyl 2-(4-hydroxyphenyl)propanoate has a molecular weight of 198.16 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 2-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 121404304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).