2-[3-(2-methylpropyl)phenyl]propanal

C13H18O — CID 105444490

IUPAC2-[3-(2-methylpropyl)phenyl]propanal
SMILESCC(C)Cc1cccc(C(C)C=O)c1
InChIInChI=1S/C13H18O/c1-10(2)7-12-5-4-6-13(8-12)11(3)9-14/h4-6,8-11H,7H2,1-3H3
InChIKeySBUSLZYSKGCZGR-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.19
Rot. Bonds4

About 2-[3-(2-methylpropyl)phenyl]propanal

2-[3-(2-methylpropyl)phenyl]propanal (PubChem CID 105444490) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)phenyl]propanal.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)phenyl]propanal
PubChem CID105444490
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-[3-(2-methylpropyl)phenyl]propanal
SMILESCC(C)Cc1cccc(C(C)C=O)c1
InChIInChI=1S/C13H18O/c1-10(2)7-12-5-4-6-13(8-12)11(3)9-14/h4-6,8-11H,7H2,1-3H3
InChIKeySBUSLZYSKGCZGR-UHFFFAOYSA-N
XLogP3.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.19
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

2-(3-benzylphenyl)propanal
CID 14882415
2-(3-propylphenyl)propanal
CID 105436614
(2R)-2-(3-methylphenyl)propanal
CID 15372593
(2S)-2-(3-methylphenyl)propanal
CID 124547254
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476
(2S)-2-[3-(2-methylpropyl)phenyl]propanamide
CID 124743513
2-(3-fluorophenyl)propanal
CID 20610109
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
CID 124604133
N-ethyl-3-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116546419
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 112705581

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)phenyl]propanal?
The IUPAC name of 2-[3-(2-methylpropyl)phenyl]propanal (CID 105444490) is 2-[3-(2-methylpropyl)phenyl]propanal.
What is the SMILES notation for 2-[3-(2-methylpropyl)phenyl]propanal?
The canonical SMILES for 2-[3-(2-methylpropyl)phenyl]propanal is CC(C)Cc1cccc(C(C)C=O)c1.
What is the InChIKey of 2-[3-(2-methylpropyl)phenyl]propanal?
The InChIKey is SBUSLZYSKGCZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)7-12-5-4-6-13(8-12)11(3)9-14/h4-6,8-11H,7H2,1-3H3.
What are the key properties of 2-[3-(2-methylpropyl)phenyl]propanal?
2-[3-(2-methylpropyl)phenyl]propanal has a molecular weight of 190.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)phenyl]propanal is sourced from PubChem (CID 105444490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).