(Z)-3-phenyl-2-phosphonoprop-2-enoic acid

C9H9O5P — CID 67323019

IUPAC(Z)-3-phenyl-2-phosphonoprop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccccc1)P(=O)(O)O
InChIInChI=1S/C9H9O5P/c10-9(11)8(15(12,13)14)6-7-4-2-1-3-5-7/h1-6H,(H,10,11)(H2,12,13,14)/b8-6-
InChIKeyKXIKOSXWPPENAK-VURMDHGXSA-N
MW228.14 g/mol
LogP1.29
Rot. Bonds3

About (Z)-3-phenyl-2-phosphonoprop-2-enoic acid

(Z)-3-phenyl-2-phosphonoprop-2-enoic acid (PubChem CID 67323019) has the molecular formula C9H9O5P and a molecular weight of 228.14 g/mol. Its IUPAC name is (Z)-3-phenyl-2-phosphonoprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-phenyl-2-phosphonoprop-2-enoic acid
PubChem CID67323019
Molecular FormulaC9H9O5P
Molecular Weight228.14 g/mol
Exact Mass228.02
IUPAC Name(Z)-3-phenyl-2-phosphonoprop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccccc1)P(=O)(O)O
InChIInChI=1S/C9H9O5P/c10-9(11)8(15(12,13)14)6-7-4-2-1-3-5-7/h1-6H,(H,10,11)(H2,12,13,14)/b8-6-
InChIKeyKXIKOSXWPPENAK-VURMDHGXSA-N
XLogP1.29
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenyl-2-phosphonoprop-2-enoic acid?
The IUPAC name of (Z)-3-phenyl-2-phosphonoprop-2-enoic acid (CID 67323019) is (Z)-3-phenyl-2-phosphonoprop-2-enoic acid.
What is the SMILES notation for (Z)-3-phenyl-2-phosphonoprop-2-enoic acid?
The canonical SMILES for (Z)-3-phenyl-2-phosphonoprop-2-enoic acid is O=C(O)/C(=C/c1ccccc1)P(=O)(O)O.
What is the InChIKey of (Z)-3-phenyl-2-phosphonoprop-2-enoic acid?
The InChIKey is KXIKOSXWPPENAK-VURMDHGXSA-N. The full InChI is InChI=1S/C9H9O5P/c10-9(11)8(15(12,13)14)6-7-4-2-1-3-5-7/h1-6H,(H,10,11)(H2,12,13,14)/b8-6-.
What are the key properties of (Z)-3-phenyl-2-phosphonoprop-2-enoic acid?
(Z)-3-phenyl-2-phosphonoprop-2-enoic acid has a molecular weight of 228.14 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenyl-2-phosphonoprop-2-enoic acid is sourced from PubChem (CID 67323019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).