(2,6-diphenylphenyl) hexyl carbonate

C25H26O3 — CID 121296956

IUPAC(2,6-diphenylphenyl) hexyl carbonate
SMILESCCCCCCOC(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C25H26O3/c1-2-3-4-11-19-27-25(26)28-24-22(20-13-7-5-8-14-20)17-12-18-23(24)21-15-9-6-10-16-21/h5-10,12-18H,2-4,11,19H2,1H3
InChIKeyOTQSWMKWZOVTAG-UHFFFAOYSA-N
MW374.48 g/mol
LogP7.12
Rot. Bonds8

About (2,6-diphenylphenyl) hexyl carbonate

(2,6-diphenylphenyl) hexyl carbonate (PubChem CID 121296956) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is (2,6-diphenylphenyl) hexyl carbonate.

Molecular Properties

Compound Name(2,6-diphenylphenyl) hexyl carbonate
PubChem CID121296956
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name(2,6-diphenylphenyl) hexyl carbonate
SMILESCCCCCCOC(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C25H26O3/c1-2-3-4-11-19-27-25(26)28-24-22(20-13-7-5-8-14-20)17-12-18-23(24)21-15-9-6-10-16-21/h5-10,12-18H,2-4,11,19H2,1H3
InChIKeyOTQSWMKWZOVTAG-UHFFFAOYSA-N
XLogP7.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexyl (2-phenylphenyl) carbonate
CID 67180373
hexyl (2-phenylphenyl) carbonate;plutonium;dicarbonate
CID 174935978
dodecyl 2-(2-phenylphenyl)acetate
CID 54053058
(1,5-diethyl-10-hexoxycarbonyloxyanthracen-9-yl) hexyl carbonate
CID 135239670
dioctyl 3-(2-phenylphenyl)benzene-1,2-dicarboxylate
CID 139981286
naphthalen-1-yl pentyl carbonate
CID 175011067
1-O-pentyl 10-O-(2-phenylphenyl) decanedioate
CID 91725688
1-O-octyl 10-O-(2-phenylphenyl) decanedioate
CID 91725692
4-O-(2-phenylphenyl) 1-O-undecyl (E)-but-2-enedioate
CID 91725429
(2,6-diphenylphenyl) methyl carbonate
CID 121292231
dioctyl benzene-1,2-dicarboxylate;2-phenylaniline
CID 174917256
1-O-nonyl 2-O-(2-phenylphenyl) cyclohexane-1,2-dicarboxylate
CID 91722359

Frequently Asked Questions

What is the IUPAC name of (2,6-diphenylphenyl) hexyl carbonate?
The IUPAC name of (2,6-diphenylphenyl) hexyl carbonate (CID 121296956) is (2,6-diphenylphenyl) hexyl carbonate.
What is the SMILES notation for (2,6-diphenylphenyl) hexyl carbonate?
The canonical SMILES for (2,6-diphenylphenyl) hexyl carbonate is CCCCCCOC(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of (2,6-diphenylphenyl) hexyl carbonate?
The InChIKey is OTQSWMKWZOVTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-2-3-4-11-19-27-25(26)28-24-22(20-13-7-5-8-14-20)17-12-18-23(24)21-15-9-6-10-16-21/h5-10,12-18H,2-4,11,19H2,1H3.
What are the key properties of (2,6-diphenylphenyl) hexyl carbonate?
(2,6-diphenylphenyl) hexyl carbonate has a molecular weight of 374.48 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diphenylphenyl) hexyl carbonate is sourced from PubChem (CID 121296956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).