(2,6-diphenylphenyl) methyl carbonate

C20H16O3 — CID 121292231

IUPAC(2,6-diphenylphenyl) methyl carbonate
SMILESCOC(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C20H16O3/c1-22-20(21)23-19-17(15-9-4-2-5-10-15)13-8-14-18(19)16-11-6-3-7-12-16/h2-14H,1H3
InChIKeyNLIPFRMVFDIBCS-UHFFFAOYSA-N
MW304.35 g/mol
LogP5.17
Rot. Bonds3

About (2,6-diphenylphenyl) methyl carbonate

(2,6-diphenylphenyl) methyl carbonate (PubChem CID 121292231) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2,6-diphenylphenyl) methyl carbonate.

Molecular Properties

Compound Name(2,6-diphenylphenyl) methyl carbonate
PubChem CID121292231
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name(2,6-diphenylphenyl) methyl carbonate
SMILESCOC(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C20H16O3/c1-22-20(21)23-19-17(15-9-4-2-5-10-15)13-8-14-18(19)16-11-6-3-7-12-16/h2-14H,1H3
InChIKeyNLIPFRMVFDIBCS-UHFFFAOYSA-N
XLogP5.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.35
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate
CID 10053564
methyl (2,3,4,6-tetraphenylphenyl) carbonate
CID 121311415
(2,6-diphenylphenyl) 2,2,3,3-tetramethylbutanoate
CID 59819121
(2,6-diphenylphenyl) hexyl carbonate
CID 121296956
2-methoxy-1,3-diphenylbenzene
CID 23524590
(2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate
CID 11694852
methyl hydrogen carbonate;2-phenylphenol
CID 67829227
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
2-(5-phenylnaphthalen-1-yl)propanoic acid
CID 21450414
[2-(6-methylheptanoyloxy)-3-phenylphenyl] 6-methylheptanoate
CID 152710252
(E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid
CID 170872372

Frequently Asked Questions

What is the IUPAC name of (2,6-diphenylphenyl) methyl carbonate?
The IUPAC name of (2,6-diphenylphenyl) methyl carbonate (CID 121292231) is (2,6-diphenylphenyl) methyl carbonate.
What is the SMILES notation for (2,6-diphenylphenyl) methyl carbonate?
The canonical SMILES for (2,6-diphenylphenyl) methyl carbonate is COC(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of (2,6-diphenylphenyl) methyl carbonate?
The InChIKey is NLIPFRMVFDIBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c1-22-20(21)23-19-17(15-9-4-2-5-10-15)13-8-14-18(19)16-11-6-3-7-12-16/h2-14H,1H3.
What are the key properties of (2,6-diphenylphenyl) methyl carbonate?
(2,6-diphenylphenyl) methyl carbonate has a molecular weight of 304.35 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diphenylphenyl) methyl carbonate is sourced from PubChem (CID 121292231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).