methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate

C23H20O3 — CID 10759883

IUPACmethyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@@H](c2ccccc2)C[C@@H](c2ccc3ccccc3c2)O1
InChIInChI=1S/C23H20O3/c1-25-23(24)22-15-20(16-7-3-2-4-8-16)14-21(26-22)19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15,20-21H,14H2,1H3/t20-,21-/m0/s1
InChIKeyLUZATAUETYGZOP-SFTDATJTSA-N
MW344.41 g/mol
LogP5.14
Rot. Bonds3

About methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate

methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 10759883) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID10759883
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Namemethyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@@H](c2ccccc2)C[C@@H](c2ccc3ccccc3c2)O1
InChIInChI=1S/C23H20O3/c1-25-23(24)22-15-20(16-7-3-2-4-8-16)14-21(26-22)19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15,20-21H,14H2,1H3/t20-,21-/m0/s1
InChIKeyLUZATAUETYGZOP-SFTDATJTSA-N
XLogP5.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102435709
methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 71714778
methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate
CID 102466475
S-methyl (2S,4R)-2-(4-bromophenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carbothioate
CID 122395201
S-methyl (2R,4S)-2-(4-tert-butylphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carbothioate
CID 122395196
(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol
CID 101086399
methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate
CID 134847031
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102492997
methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate
CID 101123064
(2R,5R)-2-naphthalen-2-yl-5-phenyloxolane
CID 101344860
dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate
CID 10936260

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate (CID 10759883) is methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=C[C@@H](c2ccccc2)C[C@@H](c2ccc3ccccc3c2)O1.
What is the InChIKey of methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is LUZATAUETYGZOP-SFTDATJTSA-N. The full InChI is InChI=1S/C23H20O3/c1-25-23(24)22-15-20(16-7-3-2-4-8-16)14-21(26-22)19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15,20-21H,14H2,1H3/t20-,21-/m0/s1.
What are the key properties of methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 10759883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).