4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde

C18H20O3 — CID 87725227

IUPAC4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde
SMILESCOc1cc(C=O)c(CC(C)c2ccccc2)cc1OC
InChIInChI=1S/C18H20O3/c1-13(14-7-5-4-6-8-14)9-15-10-17(20-2)18(21-3)11-16(15)12-19/h4-8,10-13H,9H2,1-3H3
InChIKeyXTNLPONUPUGALE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.86
Rot. Bonds6

About 4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde

4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde (PubChem CID 87725227) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde.

Molecular Properties

Compound Name4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde
PubChem CID87725227
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde
SMILESCOc1cc(C=O)c(CC(C)c2ccccc2)cc1OC
InChIInChI=1S/C18H20O3/c1-13(14-7-5-4-6-8-14)9-15-10-17(20-2)18(21-3)11-16(15)12-19/h4-8,10-13H,9H2,1-3H3
InChIKeyXTNLPONUPUGALE-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde
CID 124564377
4,5-dimethoxy-2-(2-oxoethyl)benzaldehyde
CID 134869051
4,5-dimethoxy-2-(3-oxopropyl)benzaldehyde
CID 117317867
2-(benzenesulfonylmethyl)-4,5-dimethoxybenzaldehyde
CID 102531525
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7568704
2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde
CID 11034426
5-benzhydryl-2-methoxybenzaldehyde
CID 134942077
5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 69180694
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17293395
4-methoxy-3-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzaldehyde
CID 55753601
2-(isocyanatomethyl)-4,5-dimethoxybenzaldehyde
CID 117315279
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9427335

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde?
The IUPAC name of 4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde (CID 87725227) is 4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde.
What is the SMILES notation for 4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde?
The canonical SMILES for 4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde is COc1cc(C=O)c(CC(C)c2ccccc2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde?
The InChIKey is XTNLPONUPUGALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13(14-7-5-4-6-8-14)9-15-10-17(20-2)18(21-3)11-16(15)12-19/h4-8,10-13H,9H2,1-3H3.
What are the key properties of 4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde?
4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde has a molecular weight of 284.36 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(2-phenylpropyl)benzaldehyde is sourced from PubChem (CID 87725227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).