benzyl (4-formylphenyl) carbonate

C15H12O4 — CID 11334337

IUPACbenzyl (4-formylphenyl) carbonate
SMILESO=Cc1ccc(OC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H12O4/c16-10-12-6-8-14(9-7-12)19-15(17)18-11-13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyMEKYOFASSNQVAA-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.21
Rot. Bonds4

About benzyl (4-formylphenyl) carbonate

benzyl (4-formylphenyl) carbonate (PubChem CID 11334337) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is benzyl (4-formylphenyl) carbonate.

Molecular Properties

Compound Namebenzyl (4-formylphenyl) carbonate
PubChem CID11334337
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Namebenzyl (4-formylphenyl) carbonate
SMILESO=Cc1ccc(OC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H12O4/c16-10-12-6-8-14(9-7-12)19-15(17)18-11-13-4-2-1-3-5-13/h1-10H,11H2
InChIKeyMEKYOFASSNQVAA-UHFFFAOYSA-N
XLogP3.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl (4-methylphenyl) carbonate
CID 118690287
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
[4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate
CID 66614557
dibenzyl (Z)-but-2-enedioate;diphenyl (Z)-but-2-enedioate
CID 160774605
benzyl [4-[carbamoyl-(2,6-difluorobenzoyl)amino]phenyl] carbonate
CID 155668303
(4-formylphenyl) (E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 167287450
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
benzyl (2,3-dichloroquinoxalin-6-yl) carbonate
CID 88658068
methyl-[(2-methylphenyl)methyl]-(4-phenylmethoxycarbonyloxyphenyl)sulfanium
CID 142301408
(3,5-ditert-butylphenyl)methyl phenyl carbonate
CID 13267560
benzyl N-[3-(4-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855537

Frequently Asked Questions

What is the IUPAC name of benzyl (4-formylphenyl) carbonate?
The IUPAC name of benzyl (4-formylphenyl) carbonate (CID 11334337) is benzyl (4-formylphenyl) carbonate.
What is the SMILES notation for benzyl (4-formylphenyl) carbonate?
The canonical SMILES for benzyl (4-formylphenyl) carbonate is O=Cc1ccc(OC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl (4-formylphenyl) carbonate?
The InChIKey is MEKYOFASSNQVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-10-12-6-8-14(9-7-12)19-15(17)18-11-13-4-2-1-3-5-13/h1-10H,11H2.
What are the key properties of benzyl (4-formylphenyl) carbonate?
benzyl (4-formylphenyl) carbonate has a molecular weight of 256.26 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4-formylphenyl) carbonate is sourced from PubChem (CID 11334337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).