methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate

C20H20O3 — CID 102435709

IUPACmethyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@@H](c2ccc(C)cc2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C20H20O3/c1-14-8-10-15(11-9-14)17-12-18(16-6-4-3-5-7-16)23-19(13-17)20(21)22-2/h3-11,13,17-18H,12H2,1-2H3/t17-,18+/m0/s1
InChIKeyGVEMCIFBPFVANX-ZWKOTPCHSA-N
MW308.38 g/mol
LogP4.30
Rot. Bonds3

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

methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 102435709) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID102435709
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Namemethyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@@H](c2ccc(C)cc2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C20H20O3/c1-14-8-10-15(11-9-14)17-12-18(16-6-4-3-5-7-16)23-19(13-17)20(21)22-2/h3-11,13,17-18H,12H2,1-2H3/t17-,18+/m0/s1
InChIKeyGVEMCIFBPFVANX-ZWKOTPCHSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,4S)-2-naphthalen-2-yl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 10759883
S-methyl (2S,4R)-2-(4-bromophenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carbothioate
CID 122395201
methyl 4-phenyl-2-[tri(propan-2-yl)silylmethyl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 71714778
S-methyl (2R,4S)-2-(4-tert-butylphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carbothioate
CID 122395196
methyl (3R,5S)-5-methoxy-3-phenylcyclopentene-1-carboxylate
CID 134847031
methyl 4-[(2R,6S)-6-(4-methoxycarbonylphenyl)-4-phenyloxan-2-yl]benzoate
CID 42604041
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
methyl (5S)-2-oxo-5-phenyloxolane-3-carboxylate
CID 102111765
(4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one
CID 127256657
(1R,3R)-5-methoxycarbonyl-3-phenylcyclohept-4-ene-1-carboxylic acid
CID 10588376
methyl (4aR,5S,8aS)-5-phenyl-4,4a,5,8a-tetrahydropyrano[2,3-d][1,3]dioxine-7-carboxylate
CID 10731155

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate (CID 102435709) is methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=C[C@@H](c2ccc(C)cc2)C[C@H](c2ccccc2)O1.
What is the InChIKey of methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is GVEMCIFBPFVANX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H20O3/c1-14-8-10-15(11-9-14)17-12-18(16-6-4-3-5-7-16)23-19(13-17)20(21)22-2/h3-11,13,17-18H,12H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate?
methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 102435709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).