2-phenyl-3-phosphanylpropanoic acid

C9H11O2P — CID 174900432

IUPAC2-phenyl-3-phosphanylpropanoic acid
SMILESO=C(O)C(CP)c1ccccc1
InChIInChI=1S/C9H11O2P/c10-9(11)8(6-12)7-4-2-1-3-5-7/h1-5,8H,6,12H2,(H,10,11)
InChIKeyDVOIDCRYEWZPAX-UHFFFAOYSA-N
MW182.16 g/mol
LogP1.73
Rot. Bonds3

About 2-phenyl-3-phosphanylpropanoic acid

2-phenyl-3-phosphanylpropanoic acid (PubChem CID 174900432) has the molecular formula C9H11O2P and a molecular weight of 182.16 g/mol. Its IUPAC name is 2-phenyl-3-phosphanylpropanoic acid.

Molecular Properties

Compound Name2-phenyl-3-phosphanylpropanoic acid
PubChem CID174900432
Molecular FormulaC9H11O2P
Molecular Weight182.16 g/mol
Exact Mass182.05
IUPAC Name2-phenyl-3-phosphanylpropanoic acid
SMILESO=C(O)C(CP)c1ccccc1
InChIInChI=1S/C9H11O2P/c10-9(11)8(6-12)7-4-2-1-3-5-7/h1-5,8H,6,12H2,(H,10,11)
InChIKeyDVOIDCRYEWZPAX-UHFFFAOYSA-N
XLogP1.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenylbutanedioic acid
CID 161009404
(2S)-2,3-diphenylpropanoic acid
CID 737125
europium;tris(2-phenylbutanedioic acid)
CID 156846982
(2R)-4,4-difluoro-2-phenylbutanoic acid
CID 95757342
4,4,4-trifluoro-2-phenylbutanoic acid
CID 59415192
5-hydroxy-2-phenylpentanoic acid
CID 79006638
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
sodium;4-amino-2-phenylbutanoic acid;hydride
CID 174638608
4-ethyl-2-phenylhexanoic acid
CID 81009184
4-iodo-2-phenylpentanoic acid
CID 134988411
4-oxo-2-phenylhexanoic acid
CID 13284198

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-phosphanylpropanoic acid?
The IUPAC name of 2-phenyl-3-phosphanylpropanoic acid (CID 174900432) is 2-phenyl-3-phosphanylpropanoic acid.
What is the SMILES notation for 2-phenyl-3-phosphanylpropanoic acid?
The canonical SMILES for 2-phenyl-3-phosphanylpropanoic acid is O=C(O)C(CP)c1ccccc1.
What is the InChIKey of 2-phenyl-3-phosphanylpropanoic acid?
The InChIKey is DVOIDCRYEWZPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2P/c10-9(11)8(6-12)7-4-2-1-3-5-7/h1-5,8H,6,12H2,(H,10,11).
What are the key properties of 2-phenyl-3-phosphanylpropanoic acid?
2-phenyl-3-phosphanylpropanoic acid has a molecular weight of 182.16 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-phosphanylpropanoic acid is sourced from PubChem (CID 174900432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).