2-(4-methylfuran-3-yl)benzaldehyde

C12H10O2 — CID 131007556

IUPAC2-(4-methylfuran-3-yl)benzaldehyde
SMILESCc1cocc1-c1ccccc1C=O
InChIInChI=1S/C12H10O2/c1-9-7-14-8-12(9)11-5-3-2-4-10(11)6-13/h2-8H,1H3
InChIKeyOPYBABZPWKPAHV-UHFFFAOYSA-N
MW186.21 g/mol
LogP3.07
Rot. Bonds2

About 2-(4-methylfuran-3-yl)benzaldehyde

2-(4-methylfuran-3-yl)benzaldehyde (PubChem CID 131007556) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(4-methylfuran-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-(4-methylfuran-3-yl)benzaldehyde
PubChem CID131007556
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name2-(4-methylfuran-3-yl)benzaldehyde
SMILESCc1cocc1-c1ccccc1C=O
InChIInChI=1S/C12H10O2/c1-9-7-14-8-12(9)11-5-3-2-4-10(11)6-13/h2-8H,1H3
InChIKeyOPYBABZPWKPAHV-UHFFFAOYSA-N
XLogP3.07
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 53.07
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

2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-[4-(2-formylphenyl)naphthalen-1-yl]benzaldehyde
CID 10806790
2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde
CID 132539599
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934
2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde
CID 115017229
4-(2-fluorophenyl)furan-3-carbaldehyde
CID 82375528
2-(2-phenylphenyl)benzaldehyde
CID 11322869
2-(3,5-dimethylphenyl)benzaldehyde
CID 61025926
2-(1-ethyl-5-methylpyrazol-4-yl)benzaldehyde
CID 66099113
3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
CID 86188059
ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde
CID 143224039
2-(3-chloro-4-methylphenyl)benzaldehyde
CID 115504091

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylfuran-3-yl)benzaldehyde?
The IUPAC name of 2-(4-methylfuran-3-yl)benzaldehyde (CID 131007556) is 2-(4-methylfuran-3-yl)benzaldehyde.
What is the SMILES notation for 2-(4-methylfuran-3-yl)benzaldehyde?
The canonical SMILES for 2-(4-methylfuran-3-yl)benzaldehyde is Cc1cocc1-c1ccccc1C=O.
What is the InChIKey of 2-(4-methylfuran-3-yl)benzaldehyde?
The InChIKey is OPYBABZPWKPAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c1-9-7-14-8-12(9)11-5-3-2-4-10(11)6-13/h2-8H,1H3.
What are the key properties of 2-(4-methylfuran-3-yl)benzaldehyde?
2-(4-methylfuran-3-yl)benzaldehyde has a molecular weight of 186.21 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylfuran-3-yl)benzaldehyde is sourced from PubChem (CID 131007556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).