propan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate

C31H30O3 — CID 90289865

IUPACpropan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate
SMILESCC(C)OC(=O)Oc1ccc(-c2ccccc2-c2ccccc2-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C31H30O3/c1-21(2)23-13-15-24(16-14-23)27-9-5-7-11-29(27)30-12-8-6-10-28(30)25-17-19-26(20-18-25)34-31(32)33-22(3)4/h5-22H,1-4H3
InChIKeyGHTAZBGNZZYINN-UHFFFAOYSA-N
MW450.58 g/mol
LogP8.73
Rot. Bonds6

About propan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate

propan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate (PubChem CID 90289865) has the molecular formula C31H30O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is propan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate.

Molecular Properties

Compound Namepropan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate
PubChem CID90289865
Molecular FormulaC31H30O3
Molecular Weight450.58 g/mol
Exact Mass450.22
IUPAC Namepropan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate
SMILESCC(C)OC(=O)Oc1ccc(-c2ccccc2-c2ccccc2-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C31H30O3/c1-21(2)23-13-15-24(16-14-23)27-9-5-7-11-29(27)30-12-8-6-10-28(30)25-17-19-26(20-18-25)34-31(32)33-22(3)4/h5-22H,1-4H3
InChIKeyGHTAZBGNZZYINN-UHFFFAOYSA-N
XLogP8.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze propan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate
CID 89484565
[(4-methylphenyl)-phenylmethyl] phenyl carbonate
CID 23655369
(4-propan-2-ylphenyl) carbamate
CID 57008477
(4-propan-2-ylphenyl) 2-methylpropanoate
CID 122674718
tert-butyl [4-[dichloro-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-λ4-tellanyl]phenyl] carbonate;ethane;1-phenyl-4-propan-2-ylbenzene
CID 162219986
1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl propanoate
CID 139693551
(4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate
CID 19221602
ethyl 2-(4-propan-2-ylphenyl)benzoate
CID 59820247
2-O-(4-methoxyphenyl) 1-O-(4-propan-2-ylphenyl) benzene-1,2-dicarboxylate
CID 6426010
(4-propan-2-ylphenyl) 2-phenylacetate
CID 917902
[2-(4-propan-2-ylphenyl)phenyl]methanol
CID 69041702
bis(4-propan-2-ylphenyl) benzene-1,3-dicarboxylate
CID 91739884

Frequently Asked Questions

What is the IUPAC name of propan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate?
The IUPAC name of propan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate (CID 90289865) is propan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate.
What is the SMILES notation for propan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate?
The canonical SMILES for propan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate is CC(C)OC(=O)Oc1ccc(-c2ccccc2-c2ccccc2-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of propan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate?
The InChIKey is GHTAZBGNZZYINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O3/c1-21(2)23-13-15-24(16-14-23)27-9-5-7-11-29(27)30-12-8-6-10-28(30)25-17-19-26(20-18-25)34-31(32)33-22(3)4/h5-22H,1-4H3.
What are the key properties of propan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate?
propan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate has a molecular weight of 450.58 g/mol, XLogP of 8.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl [4-[2-[2-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl] carbonate is sourced from PubChem (CID 90289865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).