(5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium

C8H10O5PS+ — CID 70003605

IUPAC(5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium
SMILESCCOC(=O)c1ccc(CO[P+](=O)O)s1
InChIInChI=1S/C8H9O5PS/c1-2-12-8(9)7-4-3-6(15-7)5-13-14(10)11/h3-4H,2,5H2,1H3/p+1
InChIKeyTVSIQJSERSTFSU-UHFFFAOYSA-O
MW249.20 g/mol
LogP2.09
Rot. Bonds5

About (5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium

(5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium (PubChem CID 70003605) has the molecular formula C8H10O5PS+ and a molecular weight of 249.20 g/mol. Its IUPAC name is (5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium
PubChem CID70003605
Molecular FormulaC8H10O5PS+
Molecular Weight249.20 g/mol
Exact Mass249.00
IUPAC Name(5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium
SMILESCCOC(=O)c1ccc(CO[P+](=O)O)s1
InChIInChI=1S/C8H9O5PS/c1-2-12-8(9)7-4-3-6(15-7)5-13-14(10)11/h3-4H,2,5H2,1H3/p+1
InChIKeyTVSIQJSERSTFSU-UHFFFAOYSA-O
XLogP2.09
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-ethoxycarbonylthiophen-2-yl)ethanethioic S-acid
CID 57468309
(5-ethoxycarbonylthiophen-2-yl)methanesulfinic acid
CID 174550421
(5-ethoxycarbonylthiophen-2-yl)methylphosphonic acid
CID 22992397
ethyl 5-hexylthiophene-2-carboxylate
CID 142697334
ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate
CID 67485458
ethyl 5-(5-hydroxy-4-methylpentyl)thiophene-2-carboxylate
CID 67485049
ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride
CID 14219735
ethyl 5-(2-chloropropanoyl)thiophene-2-carboxylate
CID 146010362
ethyl 5-[(E)-but-2-enoyl]thiophene-2-carboxylate
CID 146010349
ethane;ethyl 5-(1-hydroxyethyl)thiophene-2-carboxylate
CID 143276206
ethyl 5-(3,3-dimethylbutanoyl)thiophene-2-carboxylate
CID 146010380
ethyl 5-(3-diethoxyphosphoryl-3,3-dimethoxypropyl)thiophene-2-carboxylate
CID 57000724

Frequently Asked Questions

What is the IUPAC name of (5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium?
The IUPAC name of (5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium (CID 70003605) is (5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium.
What is the SMILES notation for (5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium?
The canonical SMILES for (5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium is CCOC(=O)c1ccc(CO[P+](=O)O)s1.
What is the InChIKey of (5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium?
The InChIKey is TVSIQJSERSTFSU-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9O5PS/c1-2-12-8(9)7-4-3-6(15-7)5-13-14(10)11/h3-4H,2,5H2,1H3/p+1.
What are the key properties of (5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium?
(5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium has a molecular weight of 249.20 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 70003605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).