(4-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate

C19H18O3 — CID 52948532

IUPAC(4-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESO=Cc1ccc(COC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C19H18O3/c20-12-14-5-7-15(8-6-14)13-22-19(21)18-10-9-16-3-1-2-4-17(16)11-18/h5-12H,1-4,13H2
InChIKeyADSBPEKOIQEPRX-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.73
Rot. Bonds4

About (4-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate

(4-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 52948532) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (4-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Name(4-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID52948532
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(4-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESO=Cc1ccc(COC(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C19H18O3/c20-12-14-5-7-15(8-6-14)13-22-19(21)18-10-9-16-3-1-2-4-17(16)11-18/h5-12H,1-4,13H2
InChIKeyADSBPEKOIQEPRX-UHFFFAOYSA-N
XLogP3.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.73
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-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of (4-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 52948532) is (4-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for (4-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for (4-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate is O=Cc1ccc(COC(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of (4-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is ADSBPEKOIQEPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c20-12-14-5-7-15(8-6-14)13-22-19(21)18-10-9-16-3-1-2-4-17(16)11-18/h5-12H,1-4,13H2.
What are the key properties of (4-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
(4-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylphenyl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 52948532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).