methyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate

C17H17NO4 — CID 86751043

IUPACmethyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate
SMILESC=C(C(=O)OC)c1nc(CO)ccc1OCc1ccccc1
InChIInChI=1S/C17H17NO4/c1-12(17(20)21-2)16-15(9-8-14(10-19)18-16)22-11-13-6-4-3-5-7-13/h3-9,19H,1,10-11H2,2H3
InChIKeyCUVAJRRPGRRXME-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.34
Rot. Bonds6

About methyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate

methyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate (PubChem CID 86751043) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate
PubChem CID86751043
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate
SMILESC=C(C(=O)OC)c1nc(CO)ccc1OCc1ccccc1
InChIInChI=1S/C17H17NO4/c1-12(17(20)21-2)16-15(9-8-14(10-19)18-16)22-11-13-6-4-3-5-7-13/h3-9,19H,1,10-11H2,2H3
InChIKeyCUVAJRRPGRRXME-UHFFFAOYSA-N
XLogP2.34
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride
CID 122199601
6-acetamido-3-phenylmethoxypyridine-2-carboxylic acid
CID 15239997
dimethyl (E)-2,3-bis(2-phenylmethoxyphenyl)but-2-enedioate
CID 135020990
methyl 6-(4-hydroxybut-1-ynyl)-3-phenylmethoxypyridine-2-carboxylate
CID 162785880
methyl 2-[(5-chloro-2-phenylmethoxyphenyl)-hydroxymethyl]prop-2-enoate
CID 11461735
cyclopentyl-(6-methyl-3-phenylmethoxy-2-pyridinyl)methanone
CID 161157461
N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
CID 69477753
benzyl 3-methyl-6,7-bis(phenylmethoxy)quinoxaline-2-carboxylate
CID 86747625
[6-(hydroxymethyl)-4-phenylmethoxy-2-pyridinyl]methanol
CID 11436507
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate
CID 174495508

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate?
The IUPAC name of methyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate (CID 86751043) is methyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate?
The canonical SMILES for methyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate is C=C(C(=O)OC)c1nc(CO)ccc1OCc1ccccc1.
What is the InChIKey of methyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate?
The InChIKey is CUVAJRRPGRRXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12(17(20)21-2)16-15(9-8-14(10-19)18-16)22-11-13-6-4-3-5-7-13/h3-9,19H,1,10-11H2,2H3.
What are the key properties of methyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate?
methyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate has a molecular weight of 299.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate is sourced from PubChem (CID 86751043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).