5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde

C16H12O4 — CID 169334900

IUPAC5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(CO)o3)cc2)o1
InChIInChI=1S/C16H12O4/c17-9-13-5-7-15(19-13)11-1-2-12(4-3-11)16-8-6-14(10-18)20-16/h1-9,18H,10H2
InChIKeyNZPVLFSLUCRKRE-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.51
Rot. Bonds4

About 5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde

5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde (PubChem CID 169334900) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
PubChem CID169334900
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(CO)o3)cc2)o1
InChIInChI=1S/C16H12O4/c17-9-13-5-7-15(19-13)11-1-2-12(4-3-11)16-8-6-14(10-18)20-16/h1-9,18H,10H2
InChIKeyNZPVLFSLUCRKRE-UHFFFAOYSA-N
XLogP3.51
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169333971
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
[4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol
CID 163843794
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
5-(4-ethylphenyl)furan-2-carbaldehyde;methanol
CID 142207596
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
[5-(4-ethylphenyl)furan-2-yl]methanol
CID 60894732
4-(5-formylfuran-2-yl)benzenecarbothioamide
CID 169331842
5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
CID 4674822
propan-2-yl 4-(5-formylfuran-2-yl)benzoate
CID 17274103
deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde
CID 158565928

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde (CID 169334900) is 5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(-c3ccc(CO)o3)cc2)o1.
What is the InChIKey of 5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde?
The InChIKey is NZPVLFSLUCRKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-9-13-5-7-15(19-13)11-1-2-12(4-3-11)16-8-6-14(10-18)20-16/h1-9,18H,10H2.
What are the key properties of 5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde?
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde has a molecular weight of 268.27 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).