(E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium

C9H9O5P — CID 175545445

IUPAC(E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium
SMILESC/C(C(=O)O)=[P+](/[O-])Oc1cccc(O)c1
InChIInChI=1S/C9H9O5P/c1-6(9(11)12)15(13)14-8-4-2-3-7(10)5-8/h2-5,10H,1H3,(H,11,12)
InChIKeyGXGGKEZJBQFLBV-UHFFFAOYSA-N
MW228.14 g/mol
LogP0.72
Rot. Bonds3

About (E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium

(E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium (PubChem CID 175545445) has the molecular formula C9H9O5P and a molecular weight of 228.14 g/mol. Its IUPAC name is (E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium.

Molecular Properties

Compound Name(E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium
PubChem CID175545445
Molecular FormulaC9H9O5P
Molecular Weight228.14 g/mol
Exact Mass228.02
IUPAC Name(E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium
SMILESC/C(C(=O)O)=[P+](/[O-])Oc1cccc(O)c1
InChIInChI=1S/C9H9O5P/c1-6(9(11)12)15(13)14-8-4-2-3-7(10)5-8/h2-5,10H,1H3,(H,11,12)
InChIKeyGXGGKEZJBQFLBV-UHFFFAOYSA-N
XLogP0.72
TPSA89.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(3-hydroxyphenoxy)-oxophosphanium
CID 68909163
(3-hydroxyphenyl) 2-oxopropanoate
CID 22361380
benzene-1,3-diol;2-methylbut-2-enoic acid
CID 174283653
(3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium
CID 174985274
ethane;3-methoxyphenol
CID 142018283
sodium 3-methoxyphenol
CID 19079440
3-phenylperoxyphenol
CID 87446766
(3-hydroxyphenyl) 4-methyl-2-propan-2-ylidenepent-3-enoate
CID 88872517
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
(Z)-4-(3-hydroxyphenoxy)-4-oxobut-2-enoic acid
CID 150587214
(3-hydroxyphenyl) 2-oxoacetate
CID 174444543
3-(3-hydroxybutan-2-yloxy)phenol
CID 77394204

Frequently Asked Questions

What is the IUPAC name of (E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium?
The IUPAC name of (E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium (CID 175545445) is (E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium.
What is the SMILES notation for (E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium?
The canonical SMILES for (E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium is C/C(C(=O)O)=[P+](/[O-])Oc1cccc(O)c1.
What is the InChIKey of (E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium?
The InChIKey is GXGGKEZJBQFLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O5P/c1-6(9(11)12)15(13)14-8-4-2-3-7(10)5-8/h2-5,10H,1H3,(H,11,12).
What are the key properties of (E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium?
(E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium has a molecular weight of 228.14 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium is sourced from PubChem (CID 175545445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).