ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate

C18H17NO3 — CID 171758357

IUPACethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate
SMILESCCOC(=O)c1cc(C(O)c2ccccc2)n2cccc2c1
InChIInChI=1S/C18H17NO3/c1-2-22-18(21)14-11-15-9-6-10-19(15)16(12-14)17(20)13-7-4-3-5-8-13/h3-12,17,20H,2H2,1H3
InChIKeyYZHWRDYMNMIDDN-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.20
Rot. Bonds4

About ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate

ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate (PubChem CID 171758357) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate
PubChem CID171758357
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate
SMILESCCOC(=O)c1cc(C(O)c2ccccc2)n2cccc2c1
InChIInChI=1S/C18H17NO3/c1-2-22-18(21)14-11-15-9-6-10-19(15)16(12-14)17(20)13-7-4-3-5-8-13/h3-12,17,20H,2H2,1H3
InChIKeyYZHWRDYMNMIDDN-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate
CID 165114067
ethyl 5-(3-bromobenzoyl)indolizine-7-carboxylate
CID 165114047
ethyl 2-acetylindolizine-3-carboxylate
CID 91665485
CID 158970570
CID 158970570
ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 10681846
ethyl 3-phenylimidazo[1,5-a]pyridine-7-carboxylate
CID 59419625
ethyl 4-[hydroxy-(4-methylphenyl)methyl]benzoate
CID 138971712
ethyl 1-(1-phenylethyl)pyrrole-2-carboxylate
CID 75166606
ethyl 7-benzoylindolizine-2-carboxylate
CID 71386260
ethyl 4-azulen-2-ylbenzoate
CID 122206706
3-[(1-ethoxycarbonylindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid
CID 141317092
ethyl 5-bromo-2-[hydroxy(phenyl)methyl]thiophene-3-carboxylate
CID 10831073

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate?
The IUPAC name of ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate (CID 171758357) is ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate.
What is the SMILES notation for ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate?
The canonical SMILES for ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate is CCOC(=O)c1cc(C(O)c2ccccc2)n2cccc2c1.
What is the InChIKey of ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate?
The InChIKey is YZHWRDYMNMIDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-22-18(21)14-11-15-9-6-10-19(15)16(12-14)17(20)13-7-4-3-5-8-13/h3-12,17,20H,2H2,1H3.
What are the key properties of ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate?
ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate is sourced from PubChem (CID 171758357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).