methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate

C16H18O5 — CID 106947014

IUPACmethyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(O)CCc2ccc(OC)cc2)o1
InChIInChI=1S/C16H18O5/c1-19-12-6-3-11(4-7-12)5-8-13(17)14-9-10-15(21-14)16(18)20-2/h3-4,6-7,9-10,13,17H,5,8H2,1-2H3
InChIKeyIAWFLAWFYJUUHY-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.74
Rot. Bonds6

About methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate

methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate (PubChem CID 106947014) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate
PubChem CID106947014
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Namemethyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(O)CCc2ccc(OC)cc2)o1
InChIInChI=1S/C16H18O5/c1-19-12-6-3-11(4-7-12)5-8-13(17)14-9-10-15(21-14)16(18)20-2/h3-4,6-7,9-10,13,17H,5,8H2,1-2H3
InChIKeyIAWFLAWFYJUUHY-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[1-hydroxy-3-(2-methylphenyl)propyl]furan-2-carboxylate
CID 106947102
methyl 5-(1-hydroxy-4-methylpentyl)furan-2-carboxylate
CID 106947046
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 5-[2-(4-bromophenyl)-1-hydroxyethyl]furan-2-carboxylate
CID 106946976
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 65447175
methyl 5-[2-(3,4-dimethylphenyl)-1-hydroxyethyl]furan-2-carboxylate
CID 106947028
1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate
CID 103249389

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate (CID 106947014) is methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate is COC(=O)c1ccc(C(O)CCc2ccc(OC)cc2)o1.
What is the InChIKey of methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate?
The InChIKey is IAWFLAWFYJUUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-19-12-6-3-11(4-7-12)5-8-13(17)14-9-10-15(21-14)16(18)20-2/h3-4,6-7,9-10,13,17H,5,8H2,1-2H3.
What are the key properties of methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate?
methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate is sourced from PubChem (CID 106947014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).