[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate

C59H64O10 — CID 158116002

IUPAC[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate
SMILESC.C.COC(=O)OCc1ccc(C(C)(C)c2ccc(O)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(C(C)(C)c4ccc(OC(=O)Oc5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H36O6.C18H20O4.2CH4/c1-27-11-13-28(14-12-27)38(2,3)29-15-21-34(22-16-29)44-37(41)45-35-25-19-31(20-26-35)39(4,5)30-17-23-33(24-18-30)43-36(40)42-32-9-7-6-8-10-32;1-18(2,15-8-10-16(19)11-9-15)14-6-4-13(5-7-14)12-22-17(20)21-3;;/h6-26H,1-5H3;4-11,19H,12H2,1-3H3;2*1H4
InChIKeyFQZVIAJOVPXISX-UHFFFAOYSA-N
MW933.15 g/mol
LogP15.08
Rot. Bonds12

About [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate

[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate (PubChem CID 158116002) has the molecular formula C59H64O10 and a molecular weight of 933.15 g/mol. Its IUPAC name is [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate.

Molecular Properties

Compound Name[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate
PubChem CID158116002
Molecular FormulaC59H64O10
Molecular Weight933.15 g/mol
Exact Mass932.45
IUPAC Name[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate
SMILESC.C.COC(=O)OCc1ccc(C(C)(C)c2ccc(O)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(C(C)(C)c4ccc(OC(=O)Oc5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H36O6.C18H20O4.2CH4/c1-27-11-13-28(14-12-27)38(2,3)29-15-21-34(22-16-29)44-37(41)45-35-25-19-31(20-26-35)39(4,5)30-17-23-33(24-18-30)43-36(40)42-32-9-7-6-8-10-32;1-18(2,15-8-10-16(19)11-9-15)14-6-4-13(5-7-14)12-22-17(20)21-3;;/h6-26H,1-5H3;4-11,19H,12H2,1-3H3;2*1H4
InChIKeyFQZVIAJOVPXISX-UHFFFAOYSA-N
XLogP15.08
TPSA126.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.15
LogP ≤ 515.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]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-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
CID 58351625
benzyl (4-methylphenyl) carbonate
CID 118690287
[4-[2-[4-[4-(methoxymethyl)phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [4-(methoxymethyl)phenyl] carbonate
CID 59205641
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
4-(4-hydroxyphenyl)phenol;methyl [4-(4-methylphenyl)phenyl] carbonate
CID 161066269
[4-[2-[4-[dimethyl-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]silyl]oxyphenyl]propan-2-yl]phenyl] methyl carbonate
CID 162487614
[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl] benzoate;propan-2-one
CID 162200473
methyl acetate;[4-[2-(4-methylphenyl)propan-2-yl]phenyl] benzoate
CID 144741916
[4-(4-hydroxyphenyl)phenyl] phenyl carbonate
CID 146436469
bis[4-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] benzene-1,4-dicarboxylate
CID 102500670
tert-butyl [4-[2-(4-methylphenyl)propan-2-yl]phenyl] carbonate
CID 20610670
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate
CID 89098058

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate?
The IUPAC name of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate (CID 158116002) is [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate.
What is the SMILES notation for [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate?
The canonical SMILES for [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate is C.C.COC(=O)OCc1ccc(C(C)(C)c2ccc(O)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(OC(=O)Oc3ccc(C(C)(C)c4ccc(OC(=O)Oc5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate?
The InChIKey is FQZVIAJOVPXISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36O6.C18H20O4.2CH4/c1-27-11-13-28(14-12-27)38(2,3)29-15-21-34(22-16-29)44-37(41)45-35-25-19-31(20-26-35)39(4,5)30-17-23-33(24-18-30)43-36(40)42-32-9-7-6-8-10-32;1-18(2,15-8-10-16(19)11-9-15)14-6-4-13(5-7-14)12-22-17(20)21-3;;/h6-26H,1-5H3;4-11,19H,12H2,1-3H3;2*1H4.
What are the key properties of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate?
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate has a molecular weight of 933.15 g/mol, XLogP of 15.08, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]methyl methyl carbonate;methane;[4-[2-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] phenyl carbonate is sourced from PubChem (CID 158116002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).