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

C14H14O4 — CID 10681846

IUPACethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(C(O)c2ccccc2)o1
InChIInChI=1S/C14H14O4/c1-2-17-14(16)12-9-8-11(18-12)13(15)10-6-4-3-5-7-10/h3-9,13,15H,2H2,1H3
InChIKeyBRRMVAVZEWHXBW-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.54
Rot. Bonds4

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

ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate (PubChem CID 10681846) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
PubChem CID10681846
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Nameethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(C(O)c2ccccc2)o1
InChIInChI=1S/C14H14O4/c1-2-17-14(16)12-9-8-11(18-12)13(15)10-6-4-3-5-7-10/h3-9,13,15H,2H2,1H3
InChIKeyBRRMVAVZEWHXBW-UHFFFAOYSA-N
XLogP2.54
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 86175043
ethyl 5-(1-hydroxy-2,2-dimethylpropyl)furan-2-carboxylate
CID 59336416
ethyl 3-[(R)-hydroxy(phenyl)methyl]-1,2-oxazole-4-carboxylate
CID 125265673
ethyl 5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-carboxylate
CID 56971831
ethyl 5-bromo-2-[hydroxy(phenyl)methyl]thiophene-3-carboxylate
CID 10831073
ethyl 5-[1-(diethylamino)ethyl]furan-2-carboxylate;iodomethane
CID 126477205
ethyl 5-(1-diethoxyphosphorylethyl)furan-2-carboxylate
CID 12992035
ethyl 5-(2,2-dichloroacetyl)furan-2-carboxylate
CID 146010164
ethyl 5-[[1-(benzenesulfonyl)-5-methylsulfanylindol-2-yl]-hydroxymethyl]furan-2-carboxylate
CID 22504440
ethyl 4-bromo-5-[hydroxy(phenyl)methyl]thiophene-2-carboxylate
CID 10854689
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 5-(2-ethoxy-2-oxoacetyl)furan-2-carboxylate
CID 146010161

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate (CID 10681846) is ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate is CCOC(=O)c1ccc(C(O)c2ccccc2)o1.
What is the InChIKey of ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate?
The InChIKey is BRRMVAVZEWHXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-2-17-14(16)12-9-8-11(18-12)13(15)10-6-4-3-5-7-10/h3-9,13,15H,2H2,1H3.
What are the key properties of ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate?
ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate has a molecular weight of 246.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate is sourced from PubChem (CID 10681846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).