benzyl methyl carbonate

C9H10O3 — CID 11182814

IUPACbenzyl methyl carbonate
SMILESCOC(=O)OCc1ccccc1
InChIInChI=1S/C9H10O3/c1-11-9(10)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyZGEPKHDCMGFQQP-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.97
Rot. Bonds2

About benzyl methyl carbonate

benzyl methyl carbonate (PubChem CID 11182814) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is benzyl methyl carbonate.

Molecular Properties

Compound Namebenzyl methyl carbonate
PubChem CID11182814
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Namebenzyl methyl carbonate
SMILESCOC(=O)OCc1ccccc1
InChIInChI=1S/C9H10O3/c1-11-9(10)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyZGEPKHDCMGFQQP-UHFFFAOYSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl methyl carbonate?
The IUPAC name of benzyl methyl carbonate (CID 11182814) is benzyl methyl carbonate.
What is the SMILES notation for benzyl methyl carbonate?
The canonical SMILES for benzyl methyl carbonate is COC(=O)OCc1ccccc1.
What is the InChIKey of benzyl methyl carbonate?
The InChIKey is ZGEPKHDCMGFQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-11-9(10)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of benzyl methyl carbonate?
benzyl methyl carbonate has a molecular weight of 166.18 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl methyl carbonate is sourced from PubChem (CID 11182814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).