3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

C20H22O2 — CID 142686311

IUPAC3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESCCC1Cc2cc(OC)ccc2C(C=O)C1c1ccccc1
InChIInChI=1S/C20H22O2/c1-3-14-11-16-12-17(22-2)9-10-18(16)19(13-21)20(14)15-7-5-4-6-8-15/h4-10,12-14,19-20H,3,11H2,1-2H3
InChIKeyYJQCRAHICUQWRK-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.34
Rot. Bonds4

About 3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (PubChem CID 142686311) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
PubChem CID142686311
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESCCC1Cc2cc(OC)ccc2C(C=O)C1c1ccccc1
InChIInChI=1S/C20H22O2/c1-3-14-11-16-12-17(22-2)9-10-18(16)19(13-21)20(14)15-7-5-4-6-8-15/h4-10,12-14,19-20H,3,11H2,1-2H3
InChIKeyYJQCRAHICUQWRK-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.34
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 3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The IUPAC name of 3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (CID 142686311) is 3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The canonical SMILES for 3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is CCC1Cc2cc(OC)ccc2C(C=O)C1c1ccccc1.
What is the InChIKey of 3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The InChIKey is YJQCRAHICUQWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-3-14-11-16-12-17(22-2)9-10-18(16)19(13-21)20(14)15-7-5-4-6-8-15/h4-10,12-14,19-20H,3,11H2,1-2H3.
What are the key properties of 3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde has a molecular weight of 294.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 142686311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).