benzyl (2-nitrosophenyl) carbonate

C14H11NO4 — CID 88882710

IUPACbenzyl (2-nitrosophenyl) carbonate
SMILESO=Nc1ccccc1OC(=O)OCc1ccccc1
InChIInChI=1S/C14H11NO4/c16-14(18-10-11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)15-17/h1-9H,10H2
InChIKeySNQDWJIGRICPGV-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.80
Rot. Bonds4

About benzyl (2-nitrosophenyl) carbonate

benzyl (2-nitrosophenyl) carbonate (PubChem CID 88882710) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is benzyl (2-nitrosophenyl) carbonate.

Molecular Properties

Compound Namebenzyl (2-nitrosophenyl) carbonate
PubChem CID88882710
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Namebenzyl (2-nitrosophenyl) carbonate
SMILESO=Nc1ccccc1OC(=O)OCc1ccccc1
InChIInChI=1S/C14H11NO4/c16-14(18-10-11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)15-17/h1-9H,10H2
InChIKeySNQDWJIGRICPGV-UHFFFAOYSA-N
XLogP3.80
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl [2-(3-phenylprop-2-ynoyl)phenyl] carbonate
CID 154710654
benzyl (2S)-2-amino-3-[3,4-bis(phenylmethoxycarbonyloxy)phenyl]propanoate
CID 102062435
benzyl (4-methylphenyl) carbonate
CID 118690287
benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate
CID 177245881
[6,16,18-triacetyloxy-2,8,14,20-tetramethyl-10,12,22,24-tetrakis(phenylmethoxycarbonyloxy)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl] acetate
CID 100917143
phenylmethoxycarbonyl acetate
CID 88811715
benzyl 2-hydroxyethyl carbonate
CID 139815197
benzyl (2,4,6-trichlorophenyl) carbonate
CID 165347479
benzyl (4-formylphenyl) carbonate
CID 11334337
CID 174906307
CID 174906307

Frequently Asked Questions

What is the IUPAC name of benzyl (2-nitrosophenyl) carbonate?
The IUPAC name of benzyl (2-nitrosophenyl) carbonate (CID 88882710) is benzyl (2-nitrosophenyl) carbonate.
What is the SMILES notation for benzyl (2-nitrosophenyl) carbonate?
The canonical SMILES for benzyl (2-nitrosophenyl) carbonate is O=Nc1ccccc1OC(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2-nitrosophenyl) carbonate?
The InChIKey is SNQDWJIGRICPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c16-14(18-10-11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)15-17/h1-9H,10H2.
What are the key properties of benzyl (2-nitrosophenyl) carbonate?
benzyl (2-nitrosophenyl) carbonate has a molecular weight of 257.25 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2-nitrosophenyl) carbonate is sourced from PubChem (CID 88882710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).