4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde

C18H20O3 — CID 124564377

IUPAC4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde
SMILESCOc1cc(C=O)c([C@H](C)Cc2ccccc2)cc1OC
InChIInChI=1S/C18H20O3/c1-13(9-14-7-5-4-6-8-14)16-11-18(21-3)17(20-2)10-15(16)12-19/h4-8,10-13H,9H2,1-3H3/t13-/m1/s1
InChIKeyUBZWWTBQTUNVAV-CYBMUJFWSA-N
MW284.36 g/mol
LogP3.86
Rot. Bonds6

About 4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde

4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde (PubChem CID 124564377) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde.

Molecular Properties

Compound Name4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde
PubChem CID124564377
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde
SMILESCOc1cc(C=O)c([C@H](C)Cc2ccccc2)cc1OC
InChIInChI=1S/C18H20O3/c1-13(9-14-7-5-4-6-8-14)16-11-18(21-3)17(20-2)10-15(16)12-19/h4-8,10-13H,9H2,1-3H3/t13-/m1/s1
InChIKeyUBZWWTBQTUNVAV-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde?
The IUPAC name of 4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde (CID 124564377) is 4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde.
What is the SMILES notation for 4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde?
The canonical SMILES for 4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde is COc1cc(C=O)c([C@H](C)Cc2ccccc2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde?
The InChIKey is UBZWWTBQTUNVAV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20O3/c1-13(9-14-7-5-4-6-8-14)16-11-18(21-3)17(20-2)10-15(16)12-19/h4-8,10-13H,9H2,1-3H3/t13-/m1/s1.
What are the key properties of 4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde?
4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]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-[(2R)-1-phenylpropan-2-yl]benzaldehyde is sourced from PubChem (CID 124564377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).