methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate

C13H12O4 — CID 86175043

IUPACmethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(O)c2ccccc2)o1
InChIInChI=1S/C13H12O4/c1-16-13(15)11-8-7-10(17-11)12(14)9-5-3-2-4-6-9/h2-8,12,14H,1H3
InChIKeyWGSGADDTTRRPSP-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.15
Rot. Bonds3

About methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate

methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate (PubChem CID 86175043) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
PubChem CID86175043
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Namemethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(O)c2ccccc2)o1
InChIInChI=1S/C13H12O4/c1-16-13(15)11-8-7-10(17-11)12(14)9-5-3-2-4-6-9/h2-8,12,14H,1H3
InChIKeyWGSGADDTTRRPSP-UHFFFAOYSA-N
XLogP2.15
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 10681846
methyl 5-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxylate
CID 106945947
methyl 5-[(3,4-difluorophenyl)-hydroxymethyl]furan-2-carboxylate
CID 106945966
methyl 5-[(3,4-dichlorophenyl)-hydroxymethyl]furan-2-carboxylate
CID 106945920
methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate
CID 106945906
methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate
CID 103265575
methyl 5-(1-amino-2-phenylethyl)furan-2-carboxylate
CID 72983472
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 5-[(3-chloro-2-methylphenyl)-hydroxymethyl]furan-2-carboxylate
CID 107103555
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[hydroxy-(1-propylpyrazol-4-yl)methyl]furan-2-carboxylate
CID 106946499
methyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate
CID 106945940

Frequently Asked Questions

What is the IUPAC name of methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate (CID 86175043) is methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate is COC(=O)c1ccc(C(O)c2ccccc2)o1.
What is the InChIKey of methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate?
The InChIKey is WGSGADDTTRRPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c1-16-13(15)11-8-7-10(17-11)12(14)9-5-3-2-4-6-9/h2-8,12,14H,1H3.
What are the key properties of methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate?
methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate has a molecular weight of 232.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate is sourced from PubChem (CID 86175043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).