(5-ethylfuran-2-yl)methanol;prop-2-enal

C10H14O3 — CID 175292814

IUPAC(5-ethylfuran-2-yl)methanol;prop-2-enal
SMILESC=CC=O.CCc1ccc(CO)o1
InChIInChI=1S/C7H10O2.C3H4O/c1-2-6-3-4-7(5-8)9-6;1-2-3-4/h3-4,8H,2,5H2,1H3;2-3H,1H2
InChIKeyZYQGRKOIAVBJAV-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.71
Rot. Bonds3

About (5-ethylfuran-2-yl)methanol;prop-2-enal

(5-ethylfuran-2-yl)methanol;prop-2-enal (PubChem CID 175292814) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)methanol;prop-2-enal.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)methanol;prop-2-enal
PubChem CID175292814
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(5-ethylfuran-2-yl)methanol;prop-2-enal
SMILESC=CC=O.CCc1ccc(CO)o1
InChIInChI=1S/C7H10O2.C3H4O/c1-2-6-3-4-7(5-8)9-6;1-2-3-4/h3-4,8H,2,5H2,1H3;2-3H,1H2
InChIKeyZYQGRKOIAVBJAV-UHFFFAOYSA-N
XLogP1.71
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5-ethylfuran-2-yl)methanol;furan-2-carbaldehyde;furan-2-ylmethanol;5-(hydroxymethyl)furan-2-carbaldehyde;molecular hydrogen
CID 163692906
[5-(hydroxymethyl)furan-2-yl]methanol;bis(octanoic acid)
CID 118471769
3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673
ethane;5-ethylfuran-2-sulfonic acid
CID 159027282
5-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
[5-(2-aminobutyl)furan-2-yl]methanol
CID 170888411
[5-[(dipropylamino)methyl]furan-2-yl]methanol
CID 115879634
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
azane;(5-methylfuran-2-yl)methanol
CID 175565780
(5-prop-1-en-2-ylfuran-2-yl)methanol
CID 119081817
2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone
CID 91750740

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)methanol;prop-2-enal?
The IUPAC name of (5-ethylfuran-2-yl)methanol;prop-2-enal (CID 175292814) is (5-ethylfuran-2-yl)methanol;prop-2-enal.
What is the SMILES notation for (5-ethylfuran-2-yl)methanol;prop-2-enal?
The canonical SMILES for (5-ethylfuran-2-yl)methanol;prop-2-enal is C=CC=O.CCc1ccc(CO)o1.
What is the InChIKey of (5-ethylfuran-2-yl)methanol;prop-2-enal?
The InChIKey is ZYQGRKOIAVBJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.C3H4O/c1-2-6-3-4-7(5-8)9-6;1-2-3-4/h3-4,8H,2,5H2,1H3;2-3H,1H2.
What are the key properties of (5-ethylfuran-2-yl)methanol;prop-2-enal?
(5-ethylfuran-2-yl)methanol;prop-2-enal has a molecular weight of 182.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)methanol;prop-2-enal is sourced from PubChem (CID 175292814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).