2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid

C19H16N2O4 — CID 146127562

IUPAC2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid
SMILESC/C(=C/c1ccc(OCc2occc2C(=O)O)cc1)c1cnccn1
InChIInChI=1S/C19H16N2O4/c1-13(17-11-20-7-8-21-17)10-14-2-4-15(5-3-14)25-12-18-16(19(22)23)6-9-24-18/h2-11H,12H2,1H3,(H,22,23)/b13-10-
InChIKeyJVMHOKUXZPLQDN-RAXLEYEMSA-N
MW336.35 g/mol
LogP3.91
Rot. Bonds6

About 2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid

2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid (PubChem CID 146127562) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid
PubChem CID146127562
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid
SMILESC/C(=C/c1ccc(OCc2occc2C(=O)O)cc1)c1cnccn1
InChIInChI=1S/C19H16N2O4/c1-13(17-11-20-7-8-21-17)10-14-2-4-15(5-3-14)25-12-18-16(19(22)23)6-9-24-18/h2-11H,12H2,1H3,(H,22,23)/b13-10-
InChIKeyJVMHOKUXZPLQDN-RAXLEYEMSA-N
XLogP3.91
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid
CID 43419529
2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine
CID 127265740
2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid
CID 823830
2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid
CID 62550489
2-[(3,4-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 43419560
2-[(4-bromo-3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 83133234
2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid
CID 83214184
2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 43477550
2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
CID 106920681
2-[(3-methyl-4-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 43394487
2-[(2,4,6-trimethylphenoxy)methyl]furan-3-carboxylic acid
CID 43419459
N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 760521

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid (CID 146127562) is 2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid is C/C(=C/c1ccc(OCc2occc2C(=O)O)cc1)c1cnccn1.
What is the InChIKey of 2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid?
The InChIKey is JVMHOKUXZPLQDN-RAXLEYEMSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-13(17-11-20-7-8-21-17)10-14-2-4-15(5-3-14)25-12-18-16(19(22)23)6-9-24-18/h2-11H,12H2,1H3,(H,22,23)/b13-10-.
What are the key properties of 2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid?
2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 146127562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).