propyl 2-hydroxyfuran-3-carboxylate

C8H10O4 — CID 137072209

IUPACpropyl 2-hydroxyfuran-3-carboxylate
SMILESCCCOC(=O)c1ccoc1O
InChIInChI=1S/C8H10O4/c1-2-4-11-7(9)6-3-5-12-8(6)10/h3,5,10H,2,4H2,1H3
InChIKeyLVCMBKNZVHLOFU-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.55
Rot. Bonds3

About propyl 2-hydroxyfuran-3-carboxylate

propyl 2-hydroxyfuran-3-carboxylate (PubChem CID 137072209) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is propyl 2-hydroxyfuran-3-carboxylate.

Molecular Properties

Compound Namepropyl 2-hydroxyfuran-3-carboxylate
PubChem CID137072209
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Namepropyl 2-hydroxyfuran-3-carboxylate
SMILESCCCOC(=O)c1ccoc1O
InChIInChI=1S/C8H10O4/c1-2-4-11-7(9)6-3-5-12-8(6)10/h3,5,10H,2,4H2,1H3
InChIKeyLVCMBKNZVHLOFU-UHFFFAOYSA-N
XLogP1.55
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
propyl 2-methylbenzoate
CID 23432654
propyl 4-hydroxybenzoate
CID 66683808
propyl 5-chloro-2-hydroxybenzoate
CID 43389601
propyl 2-methylperoxycarbonylbenzoate
CID 151434775
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
2-O-nonyl 1-O-propyl benzene-1,2-dicarboxylate
CID 525243
dipropyl tetracene-2,3-dicarboxylate
CID 132917219
ethane;propyl 2-bromobenzoate
CID 90697369
propyl 2,5-diethylbenzoate
CID 22448167
propyl 2,5-dichlorobenzoate
CID 43389536

Frequently Asked Questions

What is the IUPAC name of propyl 2-hydroxyfuran-3-carboxylate?
The IUPAC name of propyl 2-hydroxyfuran-3-carboxylate (CID 137072209) is propyl 2-hydroxyfuran-3-carboxylate.
What is the SMILES notation for propyl 2-hydroxyfuran-3-carboxylate?
The canonical SMILES for propyl 2-hydroxyfuran-3-carboxylate is CCCOC(=O)c1ccoc1O.
What is the InChIKey of propyl 2-hydroxyfuran-3-carboxylate?
The InChIKey is LVCMBKNZVHLOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-2-4-11-7(9)6-3-5-12-8(6)10/h3,5,10H,2,4H2,1H3.
What are the key properties of propyl 2-hydroxyfuran-3-carboxylate?
propyl 2-hydroxyfuran-3-carboxylate has a molecular weight of 170.16 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-hydroxyfuran-3-carboxylate is sourced from PubChem (CID 137072209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).