3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal

C15H22O2 — CID 117340941

IUPAC3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal
SMILESCCc1cc(CCC=O)cc(C(C)C)c1OC
InChIInChI=1S/C15H22O2/c1-5-13-9-12(7-6-8-16)10-14(11(2)3)15(13)17-4/h8-11H,5-7H2,1-4H3
InChIKeyFXPDTZNUOMGKPW-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.51
Rot. Bonds6

About 3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal

3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal (PubChem CID 117340941) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal.

Molecular Properties

Compound Name3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal
PubChem CID117340941
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal
SMILESCCc1cc(CCC=O)cc(C(C)C)c1OC
InChIInChI=1S/C15H22O2/c1-5-13-9-12(7-6-8-16)10-14(11(2)3)15(13)17-4/h8-11H,5-7H2,1-4H3
InChIKeyFXPDTZNUOMGKPW-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.51
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

3-(3-chloro-4-methoxy-5-propan-2-ylphenyl)propanal
CID 117354184
2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile
CID 84785533
3-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)propanal
CID 117390156
3-(5-bromo-2-methoxy-6-methyl-3-propan-2-ylphenyl)propanal
CID 117481967
3-[4-(difluoromethyl)-3-ethylphenyl]propanal
CID 118801356
2-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol
CID 117345630
3-[3-ethyl-4-(2-hydroxyethoxy)-5-methylphenyl]propanal
CID 91165982
3-(3-bromo-5-fluoro-4-methoxyphenyl)propanal
CID 117406402
3-(3-bromo-4-ethyl-5-methoxyphenyl)propanal
CID 117430397
2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117442730
3-(3-phenyl-4-propan-2-ylphenyl)propanal
CID 117384463
5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol
CID 146926614

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal?
The IUPAC name of 3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal (CID 117340941) is 3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal.
What is the SMILES notation for 3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal?
The canonical SMILES for 3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal is CCc1cc(CCC=O)cc(C(C)C)c1OC.
What is the InChIKey of 3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal?
The InChIKey is FXPDTZNUOMGKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-13-9-12(7-6-8-16)10-14(11(2)3)15(13)17-4/h8-11H,5-7H2,1-4H3.
What are the key properties of 3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal?
3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal has a molecular weight of 234.34 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal is sourced from PubChem (CID 117340941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).