benzyl phenylmethoxycarbonyl carbonate

C16H14O5 — CID 3649378

IUPACbenzyl phenylmethoxycarbonyl carbonate
SMILESO=C(OCc1ccccc1)OC(=O)OCc1ccccc1
InChIInChI=1S/C16H14O5/c17-15(19-11-13-7-3-1-4-8-13)21-16(18)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyFHRRJZZGSJXPRQ-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.68
Rot. Bonds4

About benzyl phenylmethoxycarbonyl carbonate

benzyl phenylmethoxycarbonyl carbonate (PubChem CID 3649378) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is benzyl phenylmethoxycarbonyl carbonate.

Molecular Properties

Compound Namebenzyl phenylmethoxycarbonyl carbonate
PubChem CID3649378
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Namebenzyl phenylmethoxycarbonyl carbonate
SMILESO=C(OCc1ccccc1)OC(=O)OCc1ccccc1
InChIInChI=1S/C16H14O5/c17-15(19-11-13-7-3-1-4-8-13)21-16(18)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyFHRRJZZGSJXPRQ-UHFFFAOYSA-N
XLogP3.68
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

phenylmethoxycarbonyl acetate
CID 88811715
phenylmethoxycarbonyl 3-aminopropanoate
CID 174772749
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
phenylmethoxycarbonyl 2-methylbut-2-enoate
CID 174154579
benzyl ethylcarbamoyl carbonate
CID 174255630
benzyl 2-hydroxyethyl carbonate
CID 139815197
CID 174906307
CID 174906307
phenylmethoxycarbonyl 2,3,3-trideuterioprop-2-enoate
CID 89457815
bis(phenylmethoxycarbonyl) 1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylate
CID 134590867
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl acetate
CID 8785
benzyl carbonochloridate
CID 10387

Frequently Asked Questions

What is the IUPAC name of benzyl phenylmethoxycarbonyl carbonate?
The IUPAC name of benzyl phenylmethoxycarbonyl carbonate (CID 3649378) is benzyl phenylmethoxycarbonyl carbonate.
What is the SMILES notation for benzyl phenylmethoxycarbonyl carbonate?
The canonical SMILES for benzyl phenylmethoxycarbonyl carbonate is O=C(OCc1ccccc1)OC(=O)OCc1ccccc1.
What is the InChIKey of benzyl phenylmethoxycarbonyl carbonate?
The InChIKey is FHRRJZZGSJXPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c17-15(19-11-13-7-3-1-4-8-13)21-16(18)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of benzyl phenylmethoxycarbonyl carbonate?
benzyl phenylmethoxycarbonyl carbonate has a molecular weight of 286.28 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl phenylmethoxycarbonyl carbonate is sourced from PubChem (CID 3649378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).