propyl furan-3-carboxylate

C8H10O3 — CID 3792304

IUPACpropyl furan-3-carboxylate
SMILESCCCOC(=O)c1ccoc1
InChIInChI=1S/C8H10O3/c1-2-4-11-8(9)7-3-5-10-6-7/h3,5-6H,2,4H2,1H3
InChIKeyQJVRWIIQIYTFEF-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.85
Rot. Bonds3

About propyl furan-3-carboxylate

propyl furan-3-carboxylate (PubChem CID 3792304) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is propyl furan-3-carboxylate.

Molecular Properties

Compound Namepropyl furan-3-carboxylate
PubChem CID3792304
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namepropyl furan-3-carboxylate
SMILESCCCOC(=O)c1ccoc1
InChIInChI=1S/C8H10O3/c1-2-4-11-8(9)7-3-5-10-6-7/h3,5-6H,2,4H2,1H3
InChIKeyQJVRWIIQIYTFEF-UHFFFAOYSA-N
XLogP1.85
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Furoic acid
CID 10268
3-Furaldehyde
CID 10351
Methyl furan-3-carboxylate
CID 14918
3-Furanmethanol
CID 20449
Ethyl 3-furoate
CID 69201
3,4-Furandicarboxylic acid
CID 76923
4-(Ethoxycarbonyl)furan-3-carboxylic acid
CID 271570
3,4-Diethyl 3,4-furandicarboxylate
CID 35399
2-(Trimethylsilyl)furan-3-carboxylic acid
CID 10888625
Icosa-5,8,11,14-tetraenoic acid furan-3-ylmethyl ester
CID 10200054
3,4-Furandimethanol, diacetate
CID 100613
Dimethyl furan-3,4-dicarboxylate
CID 303461

Frequently Asked Questions

What is the IUPAC name of propyl furan-3-carboxylate?
The IUPAC name of propyl furan-3-carboxylate (CID 3792304) is propyl furan-3-carboxylate.
What is the SMILES notation for propyl furan-3-carboxylate?
The canonical SMILES for propyl furan-3-carboxylate is CCCOC(=O)c1ccoc1.
What is the InChIKey of propyl furan-3-carboxylate?
The InChIKey is QJVRWIIQIYTFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-4-11-8(9)7-3-5-10-6-7/h3,5-6H,2,4H2,1H3.
What are the key properties of propyl furan-3-carboxylate?
propyl furan-3-carboxylate has a molecular weight of 154.16 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl furan-3-carboxylate is sourced from PubChem (CID 3792304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).