benzyl 2-hydroxyethyl carbonate

C10H12O4 — CID 139815197

IUPACbenzyl 2-hydroxyethyl carbonate
SMILESO=C(OCCO)OCc1ccccc1
InChIInChI=1S/C10H12O4/c11-6-7-13-10(12)14-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyYLDACNAONMBRNP-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.33
Rot. Bonds4

About benzyl 2-hydroxyethyl carbonate

benzyl 2-hydroxyethyl carbonate (PubChem CID 139815197) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is benzyl 2-hydroxyethyl carbonate.

Molecular Properties

Compound Namebenzyl 2-hydroxyethyl carbonate
PubChem CID139815197
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Namebenzyl 2-hydroxyethyl carbonate
SMILESO=C(OCCO)OCc1ccccc1
InChIInChI=1S/C10H12O4/c11-6-7-13-10(12)14-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyYLDACNAONMBRNP-UHFFFAOYSA-N
XLogP1.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 2-hydroxyethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
benzyl 3-hydroxybutyl carbonate
CID 15121666
benzyl 2-ethenoxyethyl carbonate
CID 19813780
5-O-benzyl 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate
CID 146490223
(4-methylphenyl)methyl 3-phenylpropyl carbonate
CID 22889315
phenylmethoxycarbonyl acetate
CID 88811715
benzyl [(Z)-non-4-enyl] carbonate
CID 135274084
2-amino-3-phenylmethoxycarbonyloxypropanoic acid
CID 67008928
aminomethyl 2-phenylmethoxyethyl carbonate
CID 134483943
CID 174906307
CID 174906307
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447

Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxyethyl carbonate?
The IUPAC name of benzyl 2-hydroxyethyl carbonate (CID 139815197) is benzyl 2-hydroxyethyl carbonate.
What is the SMILES notation for benzyl 2-hydroxyethyl carbonate?
The canonical SMILES for benzyl 2-hydroxyethyl carbonate is O=C(OCCO)OCc1ccccc1.
What is the InChIKey of benzyl 2-hydroxyethyl carbonate?
The InChIKey is YLDACNAONMBRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c11-6-7-13-10(12)14-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2.
What are the key properties of benzyl 2-hydroxyethyl carbonate?
benzyl 2-hydroxyethyl carbonate has a molecular weight of 196.20 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxyethyl carbonate is sourced from PubChem (CID 139815197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).