5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde

C14H14O2 — CID 106886507

IUPAC5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
SMILESCc1cc(C)c(-c2ccc(C=O)o2)cc1C
InChIInChI=1S/C14H14O2/c1-9-6-11(3)13(7-10(9)2)14-5-4-12(8-15)16-14/h4-8H,1-3H3
InChIKeyIFIIDIPINKDPPU-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.68
Rot. Bonds2

About 5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde

5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde (PubChem CID 106886507) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
PubChem CID106886507
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
SMILESCc1cc(C)c(-c2ccc(C=O)o2)cc1C
InChIInChI=1S/C14H14O2/c1-9-6-11(3)13(7-10(9)2)14-5-4-12(8-15)16-14/h4-8H,1-3H3
InChIKeyIFIIDIPINKDPPU-UHFFFAOYSA-N
XLogP3.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
5-(2,4-dimethyl-5-nitrophenyl)furan-2-carbaldehyde
CID 3470512
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
4-(5-formylfuran-2-yl)-3-methylbenzenesulfonate
CID 50874017
2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid
CID 169335754
5-(4-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888456
5-(3-fluoro-2,4-dimethylphenyl)furan-2-carbaldehyde
CID 169335280
5-(5-bromo-2-fluoro-3-methylphenyl)furan-2-carbaldehyde
CID 169335342
5-(4-methyl-3-pyridinyl)furan-2-carbaldehyde
CID 103840991
5-(2-bromo-5-methylphenyl)furan-2-carbaldehyde
CID 82767033
5-(2-fluoro-5-methylphenyl)furan-2-carbaldehyde
CID 43155826
5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde
CID 169333559

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde (CID 106886507) is 5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde is Cc1cc(C)c(-c2ccc(C=O)o2)cc1C.
What is the InChIKey of 5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde?
The InChIKey is IFIIDIPINKDPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-9-6-11(3)13(7-10(9)2)14-5-4-12(8-15)16-14/h4-8H,1-3H3.
What are the key properties of 5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde?
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde has a molecular weight of 214.26 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 106886507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).