bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate

C33H34O3 — CID 66629489

IUPACbis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate
SMILESCC(C)Cc1ccc(-c2ccccc2OC(=O)Oc2ccccc2-c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C33H34O3/c1-23(2)21-25-13-17-27(18-14-25)29-9-5-7-11-31(29)35-33(34)36-32-12-8-6-10-30(32)28-19-15-26(16-20-28)22-24(3)4/h5-20,23-24H,21-22H2,1-4H3
InChIKeyWAUVIOPMRIEBCY-UHFFFAOYSA-N
MW478.63 g/mol
LogP9.00
Rot. Bonds8

About bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate

bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate (PubChem CID 66629489) has the molecular formula C33H34O3 and a molecular weight of 478.63 g/mol. Its IUPAC name is bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate.

Molecular Properties

Compound Namebis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate
PubChem CID66629489
Molecular FormulaC33H34O3
Molecular Weight478.63 g/mol
Exact Mass478.25
IUPAC Namebis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate
SMILESCC(C)Cc1ccc(-c2ccccc2OC(=O)Oc2ccccc2-c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C33H34O3/c1-23(2)21-25-13-17-27(18-14-25)29-9-5-7-11-31(29)35-33(34)36-32-12-8-6-10-30(32)28-19-15-26(16-20-28)22-24(3)4/h5-20,23-24H,21-22H2,1-4H3
InChIKeyWAUVIOPMRIEBCY-UHFFFAOYSA-N
XLogP9.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.63
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis[2-[4-(2-methylpropyl)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

1-(2-methylpropyl)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118833201
3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 70029206
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-phenylphenoxy)acetamide
CID 7936643
bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate
CID 66629129
1-bromo-2-[4-(2-methylpropyl)phenyl]benzene
CID 145150198
diazulen-1-yl butanedioate
CID 91384946
bis[2-methyl-3-(2-methylpropyl)phenyl] carbonate
CID 139767424
[2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate
CID 101050040
ethyl (2S)-2-acetamido-3-[4-(2-methoxyphenyl)phenyl]propanoate
CID 139910489
(2,3-dibutylphenyl) [2-[2-(2-methylpropyl)phenyl]phenyl] carbonate
CID 69334519
benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate
CID 177245881
5-fluoro-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423881

Frequently Asked Questions

What is the IUPAC name of bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate?
The IUPAC name of bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate (CID 66629489) is bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate.
What is the SMILES notation for bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate?
The canonical SMILES for bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate is CC(C)Cc1ccc(-c2ccccc2OC(=O)Oc2ccccc2-c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate?
The InChIKey is WAUVIOPMRIEBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O3/c1-23(2)21-25-13-17-27(18-14-25)29-9-5-7-11-31(29)35-33(34)36-32-12-8-6-10-30(32)28-19-15-26(16-20-28)22-24(3)4/h5-20,23-24H,21-22H2,1-4H3.
What are the key properties of bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate?
bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate has a molecular weight of 478.63 g/mol, XLogP of 9.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate is sourced from PubChem (CID 66629489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).