methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate

C9H12O4 — CID 82758761

IUPACmethyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
SMILESCC[C@@H](O)c1ccc(C(=O)OC)o1
InChIInChI=1S/C9H12O4/c1-3-6(10)7-4-5-8(13-7)9(11)12-2/h4-6,10H,3H2,1-2H3/t6-/m1/s1
InChIKeyOQEPDQXDZSBRGX-ZCFIWIBFSA-N
MW184.19 g/mol
LogP1.51
Rot. Bonds3

About methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate

methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate (PubChem CID 82758761) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
PubChem CID82758761
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Namemethyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
SMILESCC[C@@H](O)c1ccc(C(=O)OC)o1
InChIInChI=1S/C9H12O4/c1-3-6(10)7-4-5-8(13-7)9(11)12-2/h4-6,10H,3H2,1-2H3/t6-/m1/s1
InChIKeyOQEPDQXDZSBRGX-ZCFIWIBFSA-N
XLogP1.51
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(1-hydroxy-4-methylpentyl)furan-2-carboxylate
CID 106947046
methyl 5-[2-(4-bromophenyl)-1-hydroxyethyl]furan-2-carboxylate
CID 106946976
methyl 5-[2-(3,4-dimethylphenyl)-1-hydroxyethyl]furan-2-carboxylate
CID 106947028
methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate
CID 106947014
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901
methyl 5-[2-(3-bromophenyl)-1-hydroxyethyl]furan-2-carboxylate
CID 106947176
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-(1-butylsulfanylethyl)furan-2-carboxylate
CID 112726651
methyl 5-[1-hydroxy-3-(2-methylphenyl)propyl]furan-2-carboxylate
CID 106947102
methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 86175043
methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate
CID 106945906
methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate
CID 103253848

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate (CID 82758761) is methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate is CC[C@@H](O)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate?
The InChIKey is OQEPDQXDZSBRGX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12O4/c1-3-6(10)7-4-5-8(13-7)9(11)12-2/h4-6,10H,3H2,1-2H3/t6-/m1/s1.
What are the key properties of methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate?
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate is sourced from PubChem (CID 82758761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).