bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate

C33H34O5 — CID 141468307

IUPACbis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate
SMILESCOCC(C)(c1ccccc1)c1ccc(OC(=O)Oc2ccc(C(C)(COC)c3ccccc3)cc2)cc1
InChIInChI=1S/C33H34O5/c1-32(23-35-3,25-11-7-5-8-12-25)27-15-19-29(20-16-27)37-31(34)38-30-21-17-28(18-22-30)33(2,24-36-4)26-13-9-6-10-14-26/h5-22H,23-24H2,1-4H3
InChIKeyBKNFSLKRPVXJPP-UHFFFAOYSA-N
MW510.63 g/mol
LogP7.17
Rot. Bonds10

About bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate

bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate (PubChem CID 141468307) has the molecular formula C33H34O5 and a molecular weight of 510.63 g/mol. Its IUPAC name is bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate.

Molecular Properties

Compound Namebis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate
PubChem CID141468307
Molecular FormulaC33H34O5
Molecular Weight510.63 g/mol
Exact Mass510.24
IUPAC Namebis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate
SMILESCOCC(C)(c1ccccc1)c1ccc(OC(=O)Oc2ccc(C(C)(COC)c3ccccc3)cc2)cc1
InChIInChI=1S/C33H34O5/c1-32(23-35-3,25-11-7-5-8-12-25)27-15-19-29(20-16-27)37-31(34)38-30-21-17-28(18-22-30)33(2,24-36-4)26-13-9-6-10-14-26/h5-22H,23-24H2,1-4H3
InChIKeyBKNFSLKRPVXJPP-UHFFFAOYSA-N
XLogP7.17
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
CID 58351625
[4-[2-[4-[4-(methoxymethyl)phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [4-(methoxymethyl)phenyl] carbonate
CID 59205641
bis[4-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] benzene-1,4-dicarboxylate
CID 102500670
[4-[2-(4-methoxyphenyl)-1-phenylpropan-2-yl]phenyl] acetate
CID 170110421
[4-[2-[4-(4-ethyl-2-methoxyphenoxy)carbonyloxyphenyl]propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
CID 68637472
[1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene
CID 23018909
4,4-bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]pentanoic acid
CID 70654079
(4-tert-butylphenyl) [4-(trifluoromethyl)phenyl] carbonate
CID 70424353
[4-[2-[4-[4-[2-(4-hydroperoxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] benzoate
CID 118177602
methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966

Frequently Asked Questions

What is the IUPAC name of bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate?
The IUPAC name of bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate (CID 141468307) is bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate.
What is the SMILES notation for bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate?
The canonical SMILES for bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate is COCC(C)(c1ccccc1)c1ccc(OC(=O)Oc2ccc(C(C)(COC)c3ccccc3)cc2)cc1.
What is the InChIKey of bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate?
The InChIKey is BKNFSLKRPVXJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O5/c1-32(23-35-3,25-11-7-5-8-12-25)27-15-19-29(20-16-27)37-31(34)38-30-21-17-28(18-22-30)33(2,24-36-4)26-13-9-6-10-14-26/h5-22H,23-24H2,1-4H3.
What are the key properties of bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate?
bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate has a molecular weight of 510.63 g/mol, XLogP of 7.17, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(1-methoxy-2-phenylpropan-2-yl)phenyl] carbonate is sourced from PubChem (CID 141468307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).