[4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium

C10H10O4P+ — CID 173012170

IUPAC[4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium
SMILESCC(=CC(=O)O)c1ccc(O[PH+]=O)cc1
InChIInChI=1S/C10H9O4P/c1-7(6-10(11)12)8-2-4-9(5-3-8)14-15-13/h2-6,15H,1H3/p+1
InChIKeyWMCPOOVODLZSEO-UHFFFAOYSA-O
MW225.16 g/mol
LogP2.49
Rot. Bonds4

About [4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium

[4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium (PubChem CID 173012170) has the molecular formula C10H10O4P+ and a molecular weight of 225.16 g/mol. Its IUPAC name is [4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium.

Molecular Properties

Compound Name[4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium
PubChem CID173012170
Molecular FormulaC10H10O4P+
Molecular Weight225.16 g/mol
Exact Mass225.03
IUPAC Name[4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium
SMILESCC(=CC(=O)O)c1ccc(O[PH+]=O)cc1
InChIInChI=1S/C10H9O4P/c1-7(6-10(11)12)8-2-4-9(5-3-8)14-15-13/h2-6,15H,1H3/p+1
InChIKeyWMCPOOVODLZSEO-UHFFFAOYSA-O
XLogP2.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[4-(methoxymethoxy)phenyl]but-2-enoic acid
CID 18473813
3-[4-(methoxymethoxy)phenyl]but-2-enoic acid
CID 70155103
3-(4-chlorophenyl)but-2-enoic acid
CID 54307451
(E)-3-(4-iodophenyl)but-2-enoic acid
CID 131527312
3-(4-butan-2-yloxyphenyl)but-2-enoic acid
CID 151273167
(E)-3-(4-formylphenyl)but-2-enoic acid
CID 135376045
3-(4-sulfamoylphenyl)but-2-enoic acid
CID 67877813
(Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one
CID 103970826
(4E,6Z)-7-(4-methoxyphenyl)-3-methylocta-2,4,6-trienoic acid
CID 173292935
methyl (E)-3-(4-methoxyphenyl)but-2-enoate
CID 11074539
(E)-3-[4-(2-methoxyphenyl)phenyl]but-2-enoic acid
CID 82092538
(E)-3-(4-propylsulfanylphenyl)but-2-enoic acid
CID 83958388

Frequently Asked Questions

What is the IUPAC name of [4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium?
The IUPAC name of [4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium (CID 173012170) is [4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium.
What is the SMILES notation for [4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium?
The canonical SMILES for [4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium is CC(=CC(=O)O)c1ccc(O[PH+]=O)cc1.
What is the InChIKey of [4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium?
The InChIKey is WMCPOOVODLZSEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9O4P/c1-7(6-10(11)12)8-2-4-9(5-3-8)14-15-13/h2-6,15H,1H3/p+1.
What are the key properties of [4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium?
[4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium has a molecular weight of 225.16 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-carboxyprop-1-en-2-yl)phenoxy]-oxophosphanium is sourced from PubChem (CID 173012170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).