4-[(3-methylphenyl)methyl]furan-2-carbaldehyde

C13H12O2 — CID 118628763

IUPAC4-[(3-methylphenyl)methyl]furan-2-carbaldehyde
SMILESCc1cccc(Cc2coc(C=O)c2)c1
InChIInChI=1S/C13H12O2/c1-10-3-2-4-11(5-10)6-12-7-13(8-14)15-9-12/h2-5,7-9H,6H2,1H3
InChIKeyHKTVUQYOYVSKIE-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.99
Rot. Bonds3

About 4-[(3-methylphenyl)methyl]furan-2-carbaldehyde

4-[(3-methylphenyl)methyl]furan-2-carbaldehyde (PubChem CID 118628763) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name4-[(3-methylphenyl)methyl]furan-2-carbaldehyde
PubChem CID118628763
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name4-[(3-methylphenyl)methyl]furan-2-carbaldehyde
SMILESCc1cccc(Cc2coc(C=O)c2)c1
InChIInChI=1S/C13H12O2/c1-10-3-2-4-11(5-10)6-12-7-13(8-14)15-9-12/h2-5,7-9H,6H2,1H3
InChIKeyHKTVUQYOYVSKIE-UHFFFAOYSA-N
XLogP2.99
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.99
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

1-bromo-4-[(3-methylphenyl)methyl]benzene
CID 67156138
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
1-iodo-3-[(3-methylphenyl)methyl]benzene
CID 155312038
4-[(3-methylphenyl)methyl]-1H-pyrrole-3-carbaldehyde
CID 82397823
1-[[3-(3,3-dimethylbutyl)phenyl]methyl]-3-[(3-methylphenyl)methyl]benzene
CID 140940309
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
1-methyl-3-[(3-nitrophenyl)methyl]benzene
CID 18724473
CID 140940362
CID 140940362
tris[(3-methylphenyl)methyl]phosphane
CID 19845609
9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
CID 143035757
methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium
CID 161347564
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methyl]furan-2-carbaldehyde?
The IUPAC name of 4-[(3-methylphenyl)methyl]furan-2-carbaldehyde (CID 118628763) is 4-[(3-methylphenyl)methyl]furan-2-carbaldehyde.
What is the SMILES notation for 4-[(3-methylphenyl)methyl]furan-2-carbaldehyde?
The canonical SMILES for 4-[(3-methylphenyl)methyl]furan-2-carbaldehyde is Cc1cccc(Cc2coc(C=O)c2)c1.
What is the InChIKey of 4-[(3-methylphenyl)methyl]furan-2-carbaldehyde?
The InChIKey is HKTVUQYOYVSKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-10-3-2-4-11(5-10)6-12-7-13(8-14)15-9-12/h2-5,7-9H,6H2,1H3.
What are the key properties of 4-[(3-methylphenyl)methyl]furan-2-carbaldehyde?
4-[(3-methylphenyl)methyl]furan-2-carbaldehyde has a molecular weight of 200.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methyl]furan-2-carbaldehyde is sourced from PubChem (CID 118628763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).