methyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate

C16H18O5 — CID 91551566

IUPACmethyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1oc(CCc2ccc(OC)cc2)cc1CO
InChIInChI=1S/C16H18O5/c1-19-13-6-3-11(4-7-13)5-8-14-9-12(10-17)15(21-14)16(18)20-2/h3-4,6-7,9,17H,5,8,10H2,1-2H3
InChIKeyPDDLSGMDZOGPJZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.35
Rot. Bonds6

About methyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate

methyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate (PubChem CID 91551566) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate
PubChem CID91551566
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Namemethyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1oc(CCc2ccc(OC)cc2)cc1CO
InChIInChI=1S/C16H18O5/c1-19-13-6-3-11(4-7-13)5-8-14-9-12(10-17)15(21-14)16(18)20-2/h3-4,6-7,9,17H,5,8,10H2,1-2H3
InChIKeyPDDLSGMDZOGPJZ-UHFFFAOYSA-N
XLogP2.35
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618989
2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol
CID 70230717
5-[[2-(4-methoxyphenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103232742
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
methyl 4-[2-[6-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-yl]ethyl]benzoate
CID 170457379
methyl 5-[2-(4-methoxyphenyl)ethyl]-2-(methylamino)thiophene-3-carboxylate
CID 72704418
methyl 3,4-dihydroxy-6-[2-(4-methoxyphenyl)ethyl]-2-methylbenzoate
CID 175431857
methyl 2,3-dihydroxy-6-[2-(4-methoxyphenyl)ethyl]benzoate
CID 100964020
methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate
CID 106947014
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 5305505
(4-methoxyphenyl)methanol
CID 7738

Frequently Asked Questions

What is the IUPAC name of methyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate (CID 91551566) is methyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate is COC(=O)c1oc(CCc2ccc(OC)cc2)cc1CO.
What is the InChIKey of methyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate?
The InChIKey is PDDLSGMDZOGPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-19-13-6-3-11(4-7-13)5-8-14-9-12(10-17)15(21-14)16(18)20-2/h3-4,6-7,9,17H,5,8,10H2,1-2H3.
What are the key properties of methyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate?
methyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(hydroxymethyl)-5-[2-(4-methoxyphenyl)ethyl]furan-2-carboxylate is sourced from PubChem (CID 91551566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).