2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone

C7H8O4 — CID 91750740

IUPAC2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone
SMILESO=C(CO)c1ccc(CO)o1
InChIInChI=1S/C7H8O4/c8-3-5-1-2-7(11-5)6(10)4-9/h1-2,8-9H,3-4H2
InChIKeyVPEAWJMSAIFNTO-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.05
Rot. Bonds3

About 2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone

2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone (PubChem CID 91750740) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone
PubChem CID91750740
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone
SMILESO=C(CO)c1ccc(CO)o1
InChIInChI=1S/C7H8O4/c8-3-5-1-2-7(11-5)6(10)4-9/h1-2,8-9H,3-4H2
InChIKeyVPEAWJMSAIFNTO-UHFFFAOYSA-N
XLogP-0.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-1-[5-(hydroxymethyl)furan-2-yl]butan-1-one
CID 123406498
(5-prop-1-en-2-ylfuran-2-yl)methanol
CID 119081817
1-O-ethyl 3-O-[3-[5-(hydroxymethyl)furan-2-yl]-3-oxopropyl] propanedioate
CID 146563740
N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide
CID 71861123
1-[5-(hydroxymethyl)furan-2-yl]ethenyl 2-methylprop-2-enoate
CID 67891886
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
[4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol
CID 163843794
5-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
CID 122559983
[5-(4-methylpent-1-en-2-yl)furan-2-yl]methanol
CID 169243429
furan-2-ylmethanol;[5-(hydroxymethyl)furan-2-yl]methanol
CID 174941274
5-[(5-carbonochloridoylfuran-2-yl)methyl]furan-2-carbonyl chloride
CID 12733577
1-[5-(aminomethyl)furan-2-yl]-2-(4-hydroxyphenyl)ethanone
CID 116590112

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone (CID 91750740) is 2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone is O=C(CO)c1ccc(CO)o1.
What is the InChIKey of 2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone?
The InChIKey is VPEAWJMSAIFNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c8-3-5-1-2-7(11-5)6(10)4-9/h1-2,8-9H,3-4H2.
What are the key properties of 2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone?
2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone has a molecular weight of 156.14 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[5-(hydroxymethyl)furan-2-yl]ethanone is sourced from PubChem (CID 91750740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).