2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde

C12H14O3 — CID 22347501

IUPAC2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde
SMILESCOc1ccc(C2CC2C=O)cc1OC
InChIInChI=1S/C12H14O3/c1-14-11-4-3-8(6-12(11)15-2)10-5-9(10)7-13/h3-4,6-7,9-10H,5H2,1-2H3
InChIKeyKMRQALHSTXAVSY-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.01
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde

2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde (PubChem CID 22347501) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde
PubChem CID22347501
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde
SMILESCOc1ccc(C2CC2C=O)cc1OC
InChIInChI=1S/C12H14O3/c1-14-11-4-3-8(6-12(11)15-2)10-5-9(10)7-13/h3-4,6-7,9-10H,5H2,1-2H3
InChIKeyKMRQALHSTXAVSY-UHFFFAOYSA-N
XLogP2.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.01
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 2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde (CID 22347501) is 2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde is COc1ccc(C2CC2C=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde?
The InChIKey is KMRQALHSTXAVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-14-11-4-3-8(6-12(11)15-2)10-5-9(10)7-13/h3-4,6-7,9-10H,5H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde?
2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde has a molecular weight of 206.24 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 22347501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).