5-[(2-methylphenoxy)methyl]furan-2-carboxylate

C13H11O4- — CID 7015943

IUPAC5-[(2-methylphenoxy)methyl]furan-2-carboxylate
SMILESCc1ccccc1OCc1ccc(C(=O)[O-])o1
InChIInChI=1S/C13H12O4/c1-9-4-2-3-5-11(9)16-8-10-6-7-12(17-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)/p-1
InChIKeySXEJLPSZJYZFAO-UHFFFAOYSA-M
MW231.23 g/mol
LogP1.53
Rot. Bonds4

About 5-[(2-methylphenoxy)methyl]furan-2-carboxylate

5-[(2-methylphenoxy)methyl]furan-2-carboxylate (PubChem CID 7015943) has the molecular formula C13H11O4- and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-[(2-methylphenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name5-[(2-methylphenoxy)methyl]furan-2-carboxylate
PubChem CID7015943
Molecular FormulaC13H11O4-
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name5-[(2-methylphenoxy)methyl]furan-2-carboxylate
SMILESCc1ccccc1OCc1ccc(C(=O)[O-])o1
InChIInChI=1S/C13H12O4/c1-9-4-2-3-5-11(9)16-8-10-6-7-12(17-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)/p-1
InChIKeySXEJLPSZJYZFAO-UHFFFAOYSA-M
XLogP1.53
TPSA62.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19455044
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
5-(naphthalen-1-yloxymethyl)furan-2-carboxylate
CID 3596350
N-(cyclobutylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95756411
N-(cyclopropylmethyl)-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95748480
5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
CID 19453386
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 35326826
N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19296501
N-(2-fluoro-5-methylphenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455034
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxylate
CID 7015019
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19290457

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenoxy)methyl]furan-2-carboxylate?
The IUPAC name of 5-[(2-methylphenoxy)methyl]furan-2-carboxylate (CID 7015943) is 5-[(2-methylphenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for 5-[(2-methylphenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for 5-[(2-methylphenoxy)methyl]furan-2-carboxylate is Cc1ccccc1OCc1ccc(C(=O)[O-])o1.
What is the InChIKey of 5-[(2-methylphenoxy)methyl]furan-2-carboxylate?
The InChIKey is SXEJLPSZJYZFAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12O4/c1-9-4-2-3-5-11(9)16-8-10-6-7-12(17-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)/p-1.
What are the key properties of 5-[(2-methylphenoxy)methyl]furan-2-carboxylate?
5-[(2-methylphenoxy)methyl]furan-2-carboxylate has a molecular weight of 231.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 7015943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).