ethyl 4-(2-phosphanylphenyl)benzoate

C15H15O2P — CID 22374006

IUPACethyl 4-(2-phosphanylphenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccccc2P)cc1
InChIInChI=1S/C15H15O2P/c1-2-17-15(16)12-9-7-11(8-10-12)13-5-3-4-6-14(13)18/h3-10H,2,18H2,1H3
InChIKeyRPKOJLXQGKLPAB-UHFFFAOYSA-N
MW258.26 g/mol
LogP3.03
Rot. Bonds3

About ethyl 4-(2-phosphanylphenyl)benzoate

ethyl 4-(2-phosphanylphenyl)benzoate (PubChem CID 22374006) has the molecular formula C15H15O2P and a molecular weight of 258.26 g/mol. Its IUPAC name is ethyl 4-(2-phosphanylphenyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-phosphanylphenyl)benzoate
PubChem CID22374006
Molecular FormulaC15H15O2P
Molecular Weight258.26 g/mol
Exact Mass258.08
IUPAC Nameethyl 4-(2-phosphanylphenyl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccccc2P)cc1
InChIInChI=1S/C15H15O2P/c1-2-17-15(16)12-9-7-11(8-10-12)13-5-3-4-6-14(13)18/h3-10H,2,18H2,1H3
InChIKeyRPKOJLXQGKLPAB-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174703430
ethyl 2-(4-methoxycarbonylphenyl)benzoate
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ethyl 4-(4-sulfanylphenyl)benzoate
CID 70674807
3-(4-ethoxycarbonylphenyl)-2-methylbenzoic acid
CID 53227860
ethyl 4-(2-oxo-1H-pyridin-3-yl)benzoate
CID 53218078
ethyl 2-(4-ethoxycarbonylphenyl)-6-fluorobenzoate
CID 102026387
ethyl benzoate;toluene
CID 23150750
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
CID 158970570
CID 158970570

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phosphanylphenyl)benzoate?
The IUPAC name of ethyl 4-(2-phosphanylphenyl)benzoate (CID 22374006) is ethyl 4-(2-phosphanylphenyl)benzoate.
What is the SMILES notation for ethyl 4-(2-phosphanylphenyl)benzoate?
The canonical SMILES for ethyl 4-(2-phosphanylphenyl)benzoate is CCOC(=O)c1ccc(-c2ccccc2P)cc1.
What is the InChIKey of ethyl 4-(2-phosphanylphenyl)benzoate?
The InChIKey is RPKOJLXQGKLPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O2P/c1-2-17-15(16)12-9-7-11(8-10-12)13-5-3-4-6-14(13)18/h3-10H,2,18H2,1H3.
What are the key properties of ethyl 4-(2-phosphanylphenyl)benzoate?
ethyl 4-(2-phosphanylphenyl)benzoate has a molecular weight of 258.26 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phosphanylphenyl)benzoate is sourced from PubChem (CID 22374006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).