ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate

C18H19NO4 — CID 177153407

IUPACethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate
SMILESCC.COC(=O)c1ncc2ccoc2c1OCc1ccccc1
InChIInChI=1S/C16H13NO4.C2H6/c1-19-16(18)13-15(14-12(9-17-13)7-8-20-14)21-10-11-5-3-2-4-6-11;1-2/h2-9H,10H2,1H3;1-2H3
InChIKeyRBSFETKSKMEWFF-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.22
Rot. Bonds4

About ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate

ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate (PubChem CID 177153407) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate
PubChem CID177153407
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate
SMILESCC.COC(=O)c1ncc2ccoc2c1OCc1ccccc1
InChIInChI=1S/C16H13NO4.C2H6/c1-19-16(18)13-15(14-12(9-17-13)7-8-20-14)21-10-11-5-3-2-4-6-11;1-2/h2-9H,10H2,1H3;1-2H3
InChIKeyRBSFETKSKMEWFF-UHFFFAOYSA-N
XLogP4.22
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-phenylmethoxy-2,6-naphthyridine-3-carboxylate
CID 176830175
methyl 8-ethyl-4-phenylmethoxyisoquinoline-3-carboxylate
CID 177153579
methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate
CID 142441350
methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
methyl 4-[(E)-2-formyloxyethenyl]-3-phenylmethoxypyridine-2-carboxylate
CID 140830444
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
ethyl (E)-3-(7-methoxy-6-phenylmethoxy-1-benzofuran-5-yl)prop-2-enoate
CID 58433886
methyl 2-cyclopropyl-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 137027779
methyl 7-hydroxy-3-phenylfuro[3,2-c]pyridine-6-carboxylate
CID 66971768
dimethyl 3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-5,7-dicarboxylate
CID 59696253
methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate
CID 170459078
methyl 5-ethyl-4-oxo-3-phenylmethoxypyran-2-carboxylate
CID 58067095

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate?
The IUPAC name of ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate (CID 177153407) is ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate is CC.COC(=O)c1ncc2ccoc2c1OCc1ccccc1.
What is the InChIKey of ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate?
The InChIKey is RBSFETKSKMEWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4.C2H6/c1-19-16(18)13-15(14-12(9-17-13)7-8-20-14)21-10-11-5-3-2-4-6-11;1-2/h2-9H,10H2,1H3;1-2H3.
What are the key properties of ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate?
ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 7-phenylmethoxyfuro[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 177153407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).