methyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate

C19H18O4 — CID 53387326

IUPACmethyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate
SMILESC#C[C@@H](O)[C@@](OCc1ccccc1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C19H18O4/c1-3-17(20)19(18(21)22-2,16-12-8-5-9-13-16)23-14-15-10-6-4-7-11-15/h1,4-13,17,20H,14H2,2H3/t17-,19-/m1/s1
InChIKeyRMGWSYMEYGUXKA-IEBWSBKVSA-N
MW310.35 g/mol
LogP2.27
Rot. Bonds6

About methyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate

methyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate (PubChem CID 53387326) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate
PubChem CID53387326
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Namemethyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate
SMILESC#C[C@@H](O)[C@@](OCc1ccccc1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C19H18O4/c1-3-17(20)19(18(21)22-2,16-12-8-5-9-13-16)23-14-15-10-6-4-7-11-15/h1,4-13,17,20H,14H2,2H3/t17-,19-/m1/s1
InChIKeyRMGWSYMEYGUXKA-IEBWSBKVSA-N
XLogP2.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-(4-chlorophenyl)-2-hydroxy-3-phenyl-3-phenylmethoxybutanedioate
CID 102391880
methyl (2R,3R)-3-hydroxy-2-methyl-2-phenyl-3-(4-phenylmethoxyphenyl)propanoate
CID 95654466
dimethyl 2-(4-bromophenyl)-2-hydroxy-3-phenyl-3-phenylmethoxybutanedioate
CID 102391882
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
methyl 3-isocyano-2-methyl-2-phenylmethoxypropanoate
CID 152900998
methoxy-phenyl-phenylmethoxymethanol
CID 168654991
dimethyl 2-amino-2-benzylpropanedioate
CID 134836854
(3S)-4,4-dimethyl-5-phenylpent-1-yn-3-ol
CID 11665538
methyl (2S)-2-(N-benzylanilino)-2-phenylbut-3-ynoate
CID 166444329
benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
CID 139247228
methyl (3S)-2,2-dichloro-3-hydroxy-5-phenylpentanoate
CID 12034293
methyl 2,2,3-triphenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 73441193

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate?
The IUPAC name of methyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate (CID 53387326) is methyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate.
What is the SMILES notation for methyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate?
The canonical SMILES for methyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate is C#C[C@@H](O)[C@@](OCc1ccccc1)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate?
The InChIKey is RMGWSYMEYGUXKA-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H18O4/c1-3-17(20)19(18(21)22-2,16-12-8-5-9-13-16)23-14-15-10-6-4-7-11-15/h1,4-13,17,20H,14H2,2H3/t17-,19-/m1/s1.
What are the key properties of methyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate?
methyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate has a molecular weight of 310.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-hydroxy-2-phenyl-2-phenylmethoxypent-4-ynoate is sourced from PubChem (CID 53387326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).