4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid

C20H20O4 — CID 67149549

IUPAC4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
SMILESCCOC(=O)C1(c2ccccc2)CCC(C(=O)O)c2ccccc21
InChIInChI=1S/C20H20O4/c1-2-24-19(23)20(14-8-4-3-5-9-14)13-12-16(18(21)22)15-10-6-7-11-17(15)20/h3-11,16H,2,12-13H2,1H3,(H,21,22)
InChIKeyGCTAAWRQIGSSBU-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.50
Rot. Bonds4

About 4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid

4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid (PubChem CID 67149549) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
PubChem CID67149549
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
SMILESCCOC(=O)C1(c2ccccc2)CCC(C(=O)O)c2ccccc21
InChIInChI=1S/C20H20O4/c1-2-24-19(23)20(14-8-4-3-5-9-14)13-12-16(18(21)22)15-10-6-7-11-17(15)20/h3-11,16H,2,12-13H2,1H3,(H,21,22)
InChIKeyGCTAAWRQIGSSBU-UHFFFAOYSA-N
XLogP3.50
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

but-1-ene;ethyl (4R)-4-acetyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 143660230
4-phenyl-4-prop-2-enoxycarbonyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
CID 58025330
ethyl (1S,4S)-4-(6-oxo-6-phenylhexanoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 59150744
ethyl (1S,4S)-4-(5-benzamidopentanoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 59150736
ethyl 4-(3-benzamidopropylcarbamoyl)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 67149536
(1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
CID 58025593
ethyl (1R,4S)-4-[6-(2-methoxyphenyl)-6-oxohexanoyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 59150752
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
ethyl (1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 58025413
1-O-[(1S,5S)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-O-[(1R,5S)-8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (1R,4S)-4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate
CID 124894508
ethyl 4-formyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylate
CID 143660041

Frequently Asked Questions

What is the IUPAC name of 4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid?
The IUPAC name of 4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid (CID 67149549) is 4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid?
The canonical SMILES for 4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid is CCOC(=O)C1(c2ccccc2)CCC(C(=O)O)c2ccccc21.
What is the InChIKey of 4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid?
The InChIKey is GCTAAWRQIGSSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-2-24-19(23)20(14-8-4-3-5-9-14)13-12-16(18(21)22)15-10-6-7-11-17(15)20/h3-11,16H,2,12-13H2,1H3,(H,21,22).
What are the key properties of 4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid?
4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 67149549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).