2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate

C17H20O6 — CID 168528271

IUPAC2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(O)CO)cc1-c1ccco1
InChIInChI=1S/C17H20O6/c1-2-7-21-16-6-5-12(17(20)23-11-13(19)10-18)9-14(16)15-4-3-8-22-15/h3-6,8-9,13,18-19H,2,7,10-11H2,1H3
InChIKeyXRHCQVHDTUIYPP-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.25
Rot. Bonds8

About 2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate

2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate (PubChem CID 168528271) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate
PubChem CID168528271
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(O)CO)cc1-c1ccco1
InChIInChI=1S/C17H20O6/c1-2-7-21-16-6-5-12(17(20)23-11-13(19)10-18)9-14(16)15-4-3-8-22-15/h3-6,8-9,13,18-19H,2,7,10-11H2,1H3
InChIKeyXRHCQVHDTUIYPP-UHFFFAOYSA-N
XLogP2.25
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydroxypropyl 3-(2,3-dihydroxypropylamino)-4-propoxybenzoate
CID 168594330
2,3-dihydroxypropyl 3-(2,2-dicyanoethenylamino)-4-propoxybenzoate
CID 168544992
hexadecyl 4-chloro-3-(furan-2-yl)benzoate
CID 168528689
3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid
CID 166242273
2,3-dihydroxypropyl 4-(4-methylphenyl)benzoate
CID 71010789
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556770
N-[3-(furan-2-yl)-4-(2-methoxyethoxy)phenyl]acetamide
CID 168528633
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 29316129
[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate
CID 8537066
2,3-dihydroxypropyl 4-propan-2-ylbenzoate
CID 155624588
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908
N'-(3-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476415

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate?
The IUPAC name of 2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate (CID 168528271) is 2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate.
What is the SMILES notation for 2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate?
The canonical SMILES for 2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(O)CO)cc1-c1ccco1.
What is the InChIKey of 2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate?
The InChIKey is XRHCQVHDTUIYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O6/c1-2-7-21-16-6-5-12(17(20)23-11-13(19)10-18)9-14(16)15-4-3-8-22-15/h3-6,8-9,13,18-19H,2,7,10-11H2,1H3.
What are the key properties of 2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate?
2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate has a molecular weight of 320.34 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 3-(furan-2-yl)-4-propoxybenzoate is sourced from PubChem (CID 168528271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).