(dimethylamino)methyl phenyl carbonate

C10H13NO3 — CID 59882405

IUPAC(dimethylamino)methyl phenyl carbonate
SMILESCN(C)COC(=O)Oc1ccccc1
InChIInChI=1S/C10H13NO3/c1-11(2)8-13-10(12)14-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyDROSLNGWAUCGQP-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.72
Rot. Bonds3

About (dimethylamino)methyl phenyl carbonate

(dimethylamino)methyl phenyl carbonate (PubChem CID 59882405) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (dimethylamino)methyl phenyl carbonate.

Molecular Properties

Compound Name(dimethylamino)methyl phenyl carbonate
PubChem CID59882405
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(dimethylamino)methyl phenyl carbonate
SMILESCN(C)COC(=O)Oc1ccccc1
InChIInChI=1S/C10H13NO3/c1-11(2)8-13-10(12)14-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyDROSLNGWAUCGQP-UHFFFAOYSA-N
XLogP1.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
[6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate
CID 165352260
diphenyl carbonate;ethane;molecular iodine
CID 159087497
diphenyl carbonate;ethoxyethane
CID 67230205
[(2S,4S)-4-(phenoxycarbonyloxymethyl)thietan-2-yl]methyl phenyl carbonate
CID 54043254
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
diphenyl carbonate;phenyl acetate
CID 90936233
ethane;methyl phenyl carbonate
CID 91113838
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
2,2-dimethylpropyl ethyl carbonate;2,2-dimethylpropyl phenyl carbonate
CID 159920940
2-(N-methylanilino)ethyl (4-phenylphenyl) carbonate
CID 54270905

Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methyl phenyl carbonate?
The IUPAC name of (dimethylamino)methyl phenyl carbonate (CID 59882405) is (dimethylamino)methyl phenyl carbonate.
What is the SMILES notation for (dimethylamino)methyl phenyl carbonate?
The canonical SMILES for (dimethylamino)methyl phenyl carbonate is CN(C)COC(=O)Oc1ccccc1.
What is the InChIKey of (dimethylamino)methyl phenyl carbonate?
The InChIKey is DROSLNGWAUCGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-11(2)8-13-10(12)14-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of (dimethylamino)methyl phenyl carbonate?
(dimethylamino)methyl phenyl carbonate has a molecular weight of 195.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methyl phenyl carbonate is sourced from PubChem (CID 59882405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).