2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal

C15H20O2 — CID 174737328

IUPAC2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal
SMILESCc1cc(C(C)C=O)cc(C)c1OCC1CC1
InChIInChI=1S/C15H20O2/c1-10-6-14(12(3)8-16)7-11(2)15(10)17-9-13-4-5-13/h6-8,12-13H,4-5,9H2,1-3H3
InChIKeyDETDBEMFCXBUIH-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.39
Rot. Bonds5

About 2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal

2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal (PubChem CID 174737328) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal.

Molecular Properties

Compound Name2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal
PubChem CID174737328
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal
SMILESCc1cc(C(C)C=O)cc(C)c1OCC1CC1
InChIInChI=1S/C15H20O2/c1-10-6-14(12(3)8-16)7-11(2)15(10)17-9-13-4-5-13/h6-8,12-13H,4-5,9H2,1-3H3
InChIKeyDETDBEMFCXBUIH-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal?
The IUPAC name of 2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal (CID 174737328) is 2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal.
What is the SMILES notation for 2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal?
The canonical SMILES for 2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal is Cc1cc(C(C)C=O)cc(C)c1OCC1CC1.
What is the InChIKey of 2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal?
The InChIKey is DETDBEMFCXBUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-6-14(12(3)8-16)7-11(2)15(10)17-9-13-4-5-13/h6-8,12-13H,4-5,9H2,1-3H3.
What are the key properties of 2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal?
2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal has a molecular weight of 232.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]propanal is sourced from PubChem (CID 174737328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).