methyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate

C13H18O5 — CID 106946391

IUPACmethyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C2(O)CCC(OC)CC2)o1
InChIInChI=1S/C13H18O5/c1-16-9-5-7-13(15,8-6-9)11-4-3-10(18-11)12(14)17-2/h3-4,9,15H,5-8H2,1-2H3
InChIKeyOENRSOLCBWDGOY-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.84
Rot. Bonds3

About methyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate

methyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate (PubChem CID 106946391) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is methyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate
PubChem CID106946391
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Namemethyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C2(O)CCC(OC)CC2)o1
InChIInChI=1S/C13H18O5/c1-16-9-5-7-13(15,8-6-9)11-4-3-10(18-11)12(14)17-2/h3-4,9,15H,5-8H2,1-2H3
InChIKeyOENRSOLCBWDGOY-UHFFFAOYSA-N
XLogP1.84
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(1-hydroxy-4-oxocyclohexyl)furan-2-carboxylate
CID 106946163
methyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate
CID 106946497
methyl 5-(1-hydroxy-3,3-dimethylcyclohexyl)furan-2-carboxylate
CID 106946104
methyl 5-(2-bicyclo[2.2.1]heptanyl)furan-2-carboxylate
CID 134947540
5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid
CID 106946107
methyl 5-cyclopropylsulfanylfuran-2-carboxylate
CID 163367666
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
methyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate
CID 106946238
5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid
CID 106945824
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-(3-methoxy-3-methylbutanoyl)furan-2-carboxylate
CID 106946556

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate (CID 106946391) is methyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate is COC(=O)c1ccc(C2(O)CCC(OC)CC2)o1.
What is the InChIKey of methyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate?
The InChIKey is OENRSOLCBWDGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-16-9-5-7-13(15,8-6-9)11-4-3-10(18-11)12(14)17-2/h3-4,9,15H,5-8H2,1-2H3.
What are the key properties of methyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate?
methyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate has a molecular weight of 254.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate is sourced from PubChem (CID 106946391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).