3-(2-methylphenyl)propanal

C10H12O — CID 15191870

IUPAC3-(2-methylphenyl)propanal
SMILESCc1ccccc1CCC=O
InChIInChI=1S/C10H12O/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6,8H,4,7H2,1H3
InChIKeyCIHMXRXLWPQFTH-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.13
Rot. Bonds3

About 3-(2-methylphenyl)propanal

3-(2-methylphenyl)propanal (PubChem CID 15191870) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 3-(2-methylphenyl)propanal.

Molecular Properties

Compound Name3-(2-methylphenyl)propanal
PubChem CID15191870
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name3-(2-methylphenyl)propanal
SMILESCc1ccccc1CCC=O
InChIInChI=1S/C10H12O/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6,8H,4,7H2,1H3
InChIKeyCIHMXRXLWPQFTH-UHFFFAOYSA-N
XLogP2.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-methylbenzene;pentanal
CID 175490673
3-(2-bromo-3-methylphenyl)propanal
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1-hex-3-enyl-2-methylbenzene
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3-(2-butylphenyl)propanal;propanal
CID 175603438
4-methyl-5-(2-methylphenyl)pentanal
CID 173385823
3-(2,6-dimethylphenyl)propanal
CID 73014071
3-[2-(ethylamino)-3-methylphenyl]propanal
CID 143063352
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
3-(2-trimethylsilylphenyl)propanal
CID 54297414
3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal
CID 90859699
CID 57429570
CID 57429570
CID 140700178
CID 140700178

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)propanal?
The IUPAC name of 3-(2-methylphenyl)propanal (CID 15191870) is 3-(2-methylphenyl)propanal.
What is the SMILES notation for 3-(2-methylphenyl)propanal?
The canonical SMILES for 3-(2-methylphenyl)propanal is Cc1ccccc1CCC=O.
What is the InChIKey of 3-(2-methylphenyl)propanal?
The InChIKey is CIHMXRXLWPQFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of 3-(2-methylphenyl)propanal?
3-(2-methylphenyl)propanal has a molecular weight of 148.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)propanal is sourced from PubChem (CID 15191870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).