[(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate

C19H20O3 — CID 174007538

IUPAC[(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESC[C@@H](OC(=O)C1Cc2ccccc2[C@@H](O)C1)c1ccccc1
InChIInChI=1S/C19H20O3/c1-13(14-7-3-2-4-8-14)22-19(21)16-11-15-9-5-6-10-17(15)18(20)12-16/h2-10,13,16,18,20H,11-12H2,1H3/t13-,16?,18+/m1/s1
InChIKeyIWSLNPZRCUXBLL-CYAFPOCWSA-N
MW296.37 g/mol
LogP3.59
Rot. Bonds3

About [(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate

[(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate (PubChem CID 174007538) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
PubChem CID174007538
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name[(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESC[C@@H](OC(=O)C1Cc2ccccc2[C@@H](O)C1)c1ccccc1
InChIInChI=1S/C19H20O3/c1-13(14-7-3-2-4-8-14)22-19(21)16-11-15-9-5-6-10-17(15)18(20)12-16/h2-10,13,16,18,20H,11-12H2,1H3/t13-,16?,18+/m1/s1
InChIKeyIWSLNPZRCUXBLL-CYAFPOCWSA-N
XLogP3.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-phenylethyl] 4-aminocyclohexane-1-carboxylate
CID 155402407
bis(1-phenylethyl) 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 87273977
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
1-phenylethyl (2S)-4-hydroxypyrrolidine-2-carboxylate
CID 61279063
1-O-tert-butyl 4-O-[(1S)-1-phenylethyl] piperidine-1,4-dicarboxylate
CID 138393461
[(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate
CID 134939139
3-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 582249
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid
CID 123842840
[(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739997
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of [(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate (CID 174007538) is [(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for [(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for [(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate is C[C@@H](OC(=O)C1Cc2ccccc2[C@@H](O)C1)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The InChIKey is IWSLNPZRCUXBLL-CYAFPOCWSA-N. The full InChI is InChI=1S/C19H20O3/c1-13(14-7-3-2-4-8-14)22-19(21)16-11-15-9-5-6-10-17(15)18(20)12-16/h2-10,13,16,18,20H,11-12H2,1H3/t13-,16?,18+/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
[(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] (4S)-4-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 174007538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).