ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate

C20H20O3 — CID 143660041

IUPACethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate
SMILESCCOC(=O)C1CCC(C=O)(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H20O3/c1-2-23-19(22)17-12-13-20(14-21,15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,14,17H,2,12-13H2,1H3
InChIKeyZPXZOBMGZJPVTH-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.61
Rot. Bonds4

About ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate

ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate (PubChem CID 143660041) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate
PubChem CID143660041
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Nameethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate
SMILESCCOC(=O)C1CCC(C=O)(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H20O3/c1-2-23-19(22)17-12-13-20(14-21,15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,14,17H,2,12-13H2,1H3
InChIKeyZPXZOBMGZJPVTH-UHFFFAOYSA-N
XLogP3.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl (1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate;ethyl (1S)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate;ethyl 4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate
CID 157161340
ethyl 4-phenyl-4-(propylcarbamoyl)-2,3-dihydro-1H-naphthalene-1-carboxylate
CID 58025530
4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
CID 67149549
but-1-ene;ethyl (4R)-4-acetyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 143660230
ethyl (1S,4S)-4-(6-oxo-6-phenylhexanoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 59150744
ethyl (5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylate
CID 124678849
ethyl 3-benzoyl-2-oxocyclopentane-1-carboxylate
CID 22897624
4-phenyl-4-prop-2-enoxycarbonyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
CID 58025330
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one
CID 83047721
ethyl (3S)-2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
CID 172907953
ethyl (1S,5S,6R)-1-phenylbicyclo[3.1.0]hexane-6-carboxylate
CID 125469612
ethyl (1S,4S)-4-(5-benzamidopentanoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 59150736

Frequently Asked Questions

What is the IUPAC name of ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate?
The IUPAC name of ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate (CID 143660041) is ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate.
What is the SMILES notation for ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate?
The canonical SMILES for ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate is CCOC(=O)C1CCC(C=O)(c2ccccc2)c2ccccc21.
What is the InChIKey of ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate?
The InChIKey is ZPXZOBMGZJPVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-2-23-19(22)17-12-13-20(14-21,15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,14,17H,2,12-13H2,1H3.
What are the key properties of ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate?
ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate is sourced from PubChem (CID 143660041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).