methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate

C19H21NO5 — CID 59712337

IUPACmethyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate
SMILESCOC(=O)C1(C(O)c2ccnc(OCc3ccccc3)c2)CCCO1
InChIInChI=1S/C19H21NO5/c1-23-18(22)19(9-5-11-25-19)17(21)15-8-10-20-16(12-15)24-13-14-6-3-2-4-7-14/h2-4,6-8,10,12,17,21H,5,9,11,13H2,1H3
InChIKeyVMMJIXKVYGTGQC-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.42
Rot. Bonds6

About methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate

methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate (PubChem CID 59712337) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate
PubChem CID59712337
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate
SMILESCOC(=O)C1(C(O)c2ccnc(OCc3ccccc3)c2)CCCO1
InChIInChI=1S/C19H21NO5/c1-23-18(22)19(9-5-11-25-19)17(21)15-8-10-20-16(12-15)24-13-14-6-3-2-4-7-14/h2-4,6-8,10,12,17,21H,5,9,11,13H2,1H3
InChIKeyVMMJIXKVYGTGQC-UHFFFAOYSA-N
XLogP2.42
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate?
The IUPAC name of methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate (CID 59712337) is methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate.
What is the SMILES notation for methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate?
The canonical SMILES for methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate is COC(=O)C1(C(O)c2ccnc(OCc3ccccc3)c2)CCCO1.
What is the InChIKey of methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate?
The InChIKey is VMMJIXKVYGTGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-23-18(22)19(9-5-11-25-19)17(21)15-8-10-20-16(12-15)24-13-14-6-3-2-4-7-14/h2-4,6-8,10,12,17,21H,5,9,11,13H2,1H3.
What are the key properties of methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate?
methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate is sourced from PubChem (CID 59712337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).