benzyl 3-hydroxybutyl carbonate

C12H16O4 — CID 15121666

IUPACbenzyl 3-hydroxybutyl carbonate
SMILESCC(O)CCOC(=O)OCc1ccccc1
InChIInChI=1S/C12H16O4/c1-10(13)7-8-15-12(14)16-9-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKeyKBMWSWLKGMVPOO-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.11
Rot. Bonds5

About benzyl 3-hydroxybutyl carbonate

benzyl 3-hydroxybutyl carbonate (PubChem CID 15121666) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is benzyl 3-hydroxybutyl carbonate.

Molecular Properties

Compound Namebenzyl 3-hydroxybutyl carbonate
PubChem CID15121666
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namebenzyl 3-hydroxybutyl carbonate
SMILESCC(O)CCOC(=O)OCc1ccccc1
InChIInChI=1S/C12H16O4/c1-10(13)7-8-15-12(14)16-9-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKeyKBMWSWLKGMVPOO-UHFFFAOYSA-N
XLogP2.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-hydroxyethyl carbonate
CID 139815197
benzyl 5-hydroxyhexanoate
CID 86132450
benzyl 3-hydroxybutanoate
CID 562226
3-hydroxybutyl N-benzylcarbamate
CID 142744474
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl 1-propan-2-yloxyethyl carbonate
CID 118149586
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl 2-(3-amino-3-oxopropoxy)propanoate
CID 138616517
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 126705764
benzyl 2-ethenoxyethyl carbonate
CID 19813780

Frequently Asked Questions

What is the IUPAC name of benzyl 3-hydroxybutyl carbonate?
The IUPAC name of benzyl 3-hydroxybutyl carbonate (CID 15121666) is benzyl 3-hydroxybutyl carbonate.
What is the SMILES notation for benzyl 3-hydroxybutyl carbonate?
The canonical SMILES for benzyl 3-hydroxybutyl carbonate is CC(O)CCOC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-hydroxybutyl carbonate?
The InChIKey is KBMWSWLKGMVPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-10(13)7-8-15-12(14)16-9-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3.
What are the key properties of benzyl 3-hydroxybutyl carbonate?
benzyl 3-hydroxybutyl carbonate has a molecular weight of 224.26 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-hydroxybutyl carbonate is sourced from PubChem (CID 15121666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).