ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate

C19H22O4 — CID 100958275

IUPACethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate
SMILESCCOC(=O)[C@H](c1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C19H22O4/c1-2-23-19(21)18(16-11-7-4-8-12-16)17(20)14-22-13-15-9-5-3-6-10-15/h3-12,17-18,20H,2,13-14H2,1H3/t17-,18+/m0/s1
InChIKeyHZZSNRMTIZKCBW-ZWKOTPCHSA-N
MW314.38 g/mol
LogP2.91
Rot. Bonds8

About ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate

ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate (PubChem CID 100958275) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate
PubChem CID100958275
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Nameethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate
SMILESCCOC(=O)[C@H](c1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C19H22O4/c1-2-23-19(21)18(16-11-7-4-8-12-16)17(20)14-22-13-15-9-5-3-6-10-15/h3-12,17-18,20H,2,13-14H2,1H3/t17-,18+/m0/s1
InChIKeyHZZSNRMTIZKCBW-ZWKOTPCHSA-N
XLogP2.91
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S,3S)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate
CID 100958276
methyl (2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate
CID 11459047
[(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate
CID 101029598
ethyl (3R,5R)-3,5-dihydroxy-6-phenylmethoxyhexanoate
CID 102254897
(E,4S,5R)-5-hydroxy-4-methyl-6-phenylmethoxyhex-2-enoic acid
CID 10901044
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
ethyl 2-hydroxy-6-phenylmethoxyhexanoate
CID 141379360
ethyl (E,4S,5R)-5-hydroxy-4-methyl-7-phenylmethoxyhept-2-enoate
CID 101420262
ethyl (E,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-7-phenylmethoxyhept-2-enoate
CID 11099256

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate?
The IUPAC name of ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate (CID 100958275) is ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate.
What is the SMILES notation for ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate?
The canonical SMILES for ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate is CCOC(=O)[C@H](c1ccccc1)[C@@H](O)COCc1ccccc1.
What is the InChIKey of ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate?
The InChIKey is HZZSNRMTIZKCBW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H22O4/c1-2-23-19(21)18(16-11-7-4-8-12-16)17(20)14-22-13-15-9-5-3-6-10-15/h3-12,17-18,20H,2,13-14H2,1H3/t17-,18+/m0/s1.
What are the key properties of ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate?
ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate has a molecular weight of 314.38 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate is sourced from PubChem (CID 100958275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).