methyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate

C17H17NO5 — CID 54271872

IUPACmethyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate
SMILESCOC=C(C(=O)OC)c1cccnc1Oc1cccc(CO)c1
InChIInChI=1S/C17H17NO5/c1-21-11-15(17(20)22-2)14-7-4-8-18-16(14)23-13-6-3-5-12(9-13)10-19/h3-9,11,19H,10H2,1-2H3
InChIKeyRKSNOWYDYGBSHG-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.53
Rot. Bonds6

About methyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate

methyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate (PubChem CID 54271872) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate
PubChem CID54271872
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Namemethyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate
SMILESCOC=C(C(=O)OC)c1cccnc1Oc1cccc(CO)c1
InChIInChI=1S/C17H17NO5/c1-21-11-15(17(20)22-2)14-7-4-8-18-16(14)23-13-6-3-5-12(9-13)10-19/h3-9,11,19H,10H2,1-2H3
InChIKeyRKSNOWYDYGBSHG-UHFFFAOYSA-N
XLogP2.53
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-[2-[3-(chloromethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate
CID 67897789
methyl (E)-2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]-3-methoxyprop-2-enoate
CID 70010332
2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide
CID 106486329
methyl (E)-3-methoxy-2-[2-[[3-(phenoxymethyl)phenoxy]methyl]phenyl]prop-2-enoate
CID 14857839
ethane;methyl 3-methoxy-2-[2-[(3-phenoxyphenoxy)methyl]phenyl]prop-2-enoate
CID 91362443
2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 39576822
methyl 3-methoxy-2-[2-[(3-methoxyphenyl)methylsulfanyl]phenyl]prop-2-enoate
CID 54433299
methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate
CID 67784963
methyl 2-[2-[N-hydroxy-C-[(3-methoxyphenyl)methyl]carbonimidoyl]phenyl]-3-methoxyprop-2-enoate
CID 154345882
methyl (E)-3-methoxy-2-[2-[3-(5-methylpyrimidin-2-yl)oxyphenoxy]phenyl]prop-2-enoate
CID 66620695
[2-(3-ethylphenoxy)-3-pyridinyl]methanol
CID 61257308
methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate
CID 54157261

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate?
The IUPAC name of methyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate (CID 54271872) is methyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate?
The canonical SMILES for methyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate is COC=C(C(=O)OC)c1cccnc1Oc1cccc(CO)c1.
What is the InChIKey of methyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate?
The InChIKey is RKSNOWYDYGBSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-11-15(17(20)22-2)14-7-4-8-18-16(14)23-13-6-3-5-12(9-13)10-19/h3-9,11,19H,10H2,1-2H3.
What are the key properties of methyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate?
methyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate has a molecular weight of 315.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[3-(hydroxymethyl)phenoxy]-3-pyridinyl]-3-methoxyprop-2-enoate is sourced from PubChem (CID 54271872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).