propan-2-yl furan-3-carboxylate

C8H10O3 — CID 60704528

IUPACpropan-2-yl furan-3-carboxylate
SMILESCC(C)OC(=O)c1ccoc1
InChIInChI=1S/C8H10O3/c1-6(2)11-8(9)7-3-4-10-5-7/h3-6H,1-2H3
InChIKeyBHLSCMXCGZPLNO-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.84
Rot. Bonds2

About propan-2-yl furan-3-carboxylate

propan-2-yl furan-3-carboxylate (PubChem CID 60704528) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is propan-2-yl furan-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl furan-3-carboxylate
PubChem CID60704528
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namepropan-2-yl furan-3-carboxylate
SMILESCC(C)OC(=O)c1ccoc1
InChIInChI=1S/C8H10O3/c1-6(2)11-8(9)7-3-4-10-5-7/h3-6H,1-2H3
InChIKeyBHLSCMXCGZPLNO-UHFFFAOYSA-N
XLogP1.84
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.84
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
Ethyl 3-furoate
CID 69201
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
4-Methylfuran-3-carboxylic acid
CID 14779340
2-Iodofuran-3-carboxylic acid
CID 68563082

Frequently Asked Questions

What is the IUPAC name of propan-2-yl furan-3-carboxylate?
The IUPAC name of propan-2-yl furan-3-carboxylate (CID 60704528) is propan-2-yl furan-3-carboxylate.
What is the SMILES notation for propan-2-yl furan-3-carboxylate?
The canonical SMILES for propan-2-yl furan-3-carboxylate is CC(C)OC(=O)c1ccoc1.
What is the InChIKey of propan-2-yl furan-3-carboxylate?
The InChIKey is BHLSCMXCGZPLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-6(2)11-8(9)7-3-4-10-5-7/h3-6H,1-2H3.
What are the key properties of propan-2-yl furan-3-carboxylate?
propan-2-yl furan-3-carboxylate has a molecular weight of 154.16 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl furan-3-carboxylate is sourced from PubChem (CID 60704528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).