benzyl (2-hydroxy-2-phenylpropyl) carbonate

C17H18O4 — CID 139815152

IUPACbenzyl (2-hydroxy-2-phenylpropyl) carbonate
SMILESCC(O)(COC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O4/c1-17(19,15-10-6-3-7-11-15)13-21-16(18)20-12-14-8-4-2-5-9-14/h2-11,19H,12-13H2,1H3
InChIKeyQAPNMNAJKMGMNC-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.25
Rot. Bonds5

About benzyl (2-hydroxy-2-phenylpropyl) carbonate

benzyl (2-hydroxy-2-phenylpropyl) carbonate (PubChem CID 139815152) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is benzyl (2-hydroxy-2-phenylpropyl) carbonate.

Molecular Properties

Compound Namebenzyl (2-hydroxy-2-phenylpropyl) carbonate
PubChem CID139815152
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namebenzyl (2-hydroxy-2-phenylpropyl) carbonate
SMILESCC(O)(COC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O4/c1-17(19,15-10-6-3-7-11-15)13-21-16(18)20-12-14-8-4-2-5-9-14/h2-11,19H,12-13H2,1H3
InChIKeyQAPNMNAJKMGMNC-UHFFFAOYSA-N
XLogP3.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
benzyl 2-amino-2-phenylpropanoate
CID 54322564
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
benzyl 2-tert-butyl-3,3-dimethylbutanoate
CID 130279218
benzyl (2S)-2-hydroxy-2-phenylbutanoate
CID 155930279
phenylmethoxycarbonyl acetate
CID 88811715
benzyl 2-hydroxyethyl carbonate
CID 139815197
benzyl 1-propan-2-yloxyethyl carbonate
CID 118149586
(3-methylphenyl)methyl 2-(hydroxymethyl)-2-methyl-3-phenylmethoxycarbonyloxypropanoate
CID 59608843
benzyl 2-hydroxy-3,3-dimethylbutanoate
CID 15070303
benzyl carbamate;heptahydrochloride
CID 141351835

Frequently Asked Questions

What is the IUPAC name of benzyl (2-hydroxy-2-phenylpropyl) carbonate?
The IUPAC name of benzyl (2-hydroxy-2-phenylpropyl) carbonate (CID 139815152) is benzyl (2-hydroxy-2-phenylpropyl) carbonate.
What is the SMILES notation for benzyl (2-hydroxy-2-phenylpropyl) carbonate?
The canonical SMILES for benzyl (2-hydroxy-2-phenylpropyl) carbonate is CC(O)(COC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (2-hydroxy-2-phenylpropyl) carbonate?
The InChIKey is QAPNMNAJKMGMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-17(19,15-10-6-3-7-11-15)13-21-16(18)20-12-14-8-4-2-5-9-14/h2-11,19H,12-13H2,1H3.
What are the key properties of benzyl (2-hydroxy-2-phenylpropyl) carbonate?
benzyl (2-hydroxy-2-phenylpropyl) carbonate has a molecular weight of 286.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2-hydroxy-2-phenylpropyl) carbonate is sourced from PubChem (CID 139815152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).