benzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate

C20H22O5 — CID 66677365

IUPACbenzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate
SMILESO=C(OCc1ccccc1)C1C[C@@H](OCc2ccccc2)C(O)CO1
InChIInChI=1S/C20H22O5/c21-17-14-24-19(20(22)25-13-16-9-5-2-6-10-16)11-18(17)23-12-15-7-3-1-4-8-15/h1-10,17-19,21H,11-14H2/t17?,18-,19?/m1/s1
InChIKeySTXPECJJCZIXJU-JLAWEPINSA-N
MW342.39 g/mol
LogP2.46
Rot. Bonds6

About benzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate

benzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate (PubChem CID 66677365) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is benzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate
PubChem CID66677365
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Namebenzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate
SMILESO=C(OCc1ccccc1)C1C[C@@H](OCc2ccccc2)C(O)CO1
InChIInChI=1S/C20H22O5/c21-17-14-24-19(20(22)25-13-16-9-5-2-6-10-16)11-18(17)23-12-15-7-3-1-4-8-15/h1-10,17-19,21H,11-14H2/t17?,18-,19?/m1/s1
InChIKeySTXPECJJCZIXJU-JLAWEPINSA-N
XLogP2.46
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S,4S,5S,7S)-7-butan-2-yl-4,5-bis(phenylmethoxy)oxocane-2-carboxylate
CID 163758645
benzyl (3R,4R)-5-hydroxy-4-phenylmethoxy-3-(3-phenylpropoxy)oxane-2-carboxylate
CID 59011060
methyl (2R,3R,5R)-3,5-dihydroxy-4-phenylmethoxyoxane-2-carboxylate
CID 163625128
benzyl 2-hydroxycyclobutane-1-carboxylate
CID 174627275
benzyl 5-propan-2-yloxyoxane-2-carboxylate
CID 121379741
benzyl (2S,3S,4S,5S,6R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxane-2-carboxylate
CID 124523716
benzyl dioxepane-3-carboxylate
CID 174990901
benzyl (3S,5S)-5-methyloxolane-3-carboxylate
CID 102519565
benzyl 4-(5-decylpyrimidin-2-yl)oxolane-2-carboxylate
CID 67893481
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
CID 70818190

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate?
The IUPAC name of benzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate (CID 66677365) is benzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate.
What is the SMILES notation for benzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate?
The canonical SMILES for benzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate is O=C(OCc1ccccc1)C1C[C@@H](OCc2ccccc2)C(O)CO1.
What is the InChIKey of benzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate?
The InChIKey is STXPECJJCZIXJU-JLAWEPINSA-N. The full InChI is InChI=1S/C20H22O5/c21-17-14-24-19(20(22)25-13-16-9-5-2-6-10-16)11-18(17)23-12-15-7-3-1-4-8-15/h1-10,17-19,21H,11-14H2/t17?,18-,19?/m1/s1.
What are the key properties of benzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate?
benzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate has a molecular weight of 342.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-5-hydroxy-4-phenylmethoxyoxane-2-carboxylate is sourced from PubChem (CID 66677365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).