2-cyclopropyl-3-(4-methoxyphenyl)propanal

C13H16O2 — CID 83832511

IUPAC2-cyclopropyl-3-(4-methoxyphenyl)propanal
SMILESCOc1ccc(CC(C=O)C2CC2)cc1
InChIInChI=1S/C13H16O2/c1-15-13-6-2-10(3-7-13)8-12(9-14)11-4-5-11/h2-3,6-7,9,11-12H,4-5,8H2,1H3
InChIKeyWBZXEYIIDCLALM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.46
Rot. Bonds5

About 2-cyclopropyl-3-(4-methoxyphenyl)propanal

2-cyclopropyl-3-(4-methoxyphenyl)propanal (PubChem CID 83832511) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-methoxyphenyl)propanal.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-methoxyphenyl)propanal
PubChem CID83832511
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-cyclopropyl-3-(4-methoxyphenyl)propanal
SMILESCOc1ccc(CC(C=O)C2CC2)cc1
InChIInChI=1S/C13H16O2/c1-15-13-6-2-10(3-7-13)8-12(9-14)11-4-5-11/h2-3,6-7,9,11-12H,4-5,8H2,1H3
InChIKeyWBZXEYIIDCLALM-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.46
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-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine
CID 112507866
1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 63017637
2-bromo-4-(4-methoxyphenyl)-3-methylbutanal
CID 87581235
(2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde
CID 11230796
1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene
CID 63544491
4-(4-methoxyphenyl)-3-methylbutanal
CID 19846631
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
1-[2-(bromomethyl)-3-cyclopentylpropyl]-4-methoxybenzene
CID 66042501
[1-bromo-2-(4-methoxyphenyl)ethyl]cyclooctane
CID 65020671
1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine
CID 63528924
1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene
CID 63520591
1-(4-methoxyphenyl)-3-piperidin-4-ylpropan-2-ol
CID 54148570

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-methoxyphenyl)propanal?
The IUPAC name of 2-cyclopropyl-3-(4-methoxyphenyl)propanal (CID 83832511) is 2-cyclopropyl-3-(4-methoxyphenyl)propanal.
What is the SMILES notation for 2-cyclopropyl-3-(4-methoxyphenyl)propanal?
The canonical SMILES for 2-cyclopropyl-3-(4-methoxyphenyl)propanal is COc1ccc(CC(C=O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-3-(4-methoxyphenyl)propanal?
The InChIKey is WBZXEYIIDCLALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-15-13-6-2-10(3-7-13)8-12(9-14)11-4-5-11/h2-3,6-7,9,11-12H,4-5,8H2,1H3.
What are the key properties of 2-cyclopropyl-3-(4-methoxyphenyl)propanal?
2-cyclopropyl-3-(4-methoxyphenyl)propanal has a molecular weight of 204.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-methoxyphenyl)propanal is sourced from PubChem (CID 83832511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).