[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate

C31H30O4 — CID 58351625

IUPAC[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
SMILESCC(C)(c1ccccc1)c1ccc(OC(=O)Oc2ccc(C(C)(C)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C31H30O4/c1-30(2,22-8-6-5-7-9-22)24-12-18-27(19-13-24)34-29(33)35-28-20-14-25(15-21-28)31(3,4)23-10-16-26(32)17-11-23/h5-21,32H,1-4H3
InChIKeyPUAYKYRAVWNRIN-UHFFFAOYSA-N
MW466.58 g/mol
LogP7.62
Rot. Bonds6

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

[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate (PubChem CID 58351625) has the molecular formula C31H30O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate.

Molecular Properties

Compound Name[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
PubChem CID58351625
Molecular FormulaC31H30O4
Molecular Weight466.58 g/mol
Exact Mass466.21
IUPAC Name[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
SMILESCC(C)(c1ccccc1)c1ccc(OC(=O)Oc2ccc(C(C)(C)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C31H30O4/c1-30(2,22-8-6-5-7-9-22)24-12-18-27(19-13-24)34-29(33)35-28-20-14-25(15-21-28)31(3,4)23-10-16-26(32)17-11-23/h5-21,32H,1-4H3
InChIKeyPUAYKYRAVWNRIN-UHFFFAOYSA-N
XLogP7.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate
CID 89098058
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
bis[4-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] benzene-1,4-dicarboxylate
CID 102500670
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate
CID 54208254
[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone
CID 90444002
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-bromo-2-methylpropanoate
CID 101191413
decanedioic acid;4-[(4-hydroxyphenyl)disulfanyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol;10-O-[4-[[4-[4-(2-phenylpropan-2-yl)phenoxy]carbonyloxyphenyl]disulfanyl]phenyl] 1-O-[4-[2-[4-[4-(2-phenylpropan-2-yl)phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] decanedioate
CID 159874478
[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
[4-[2-[4-[4-[2-(4-hydroperoxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] benzoate
CID 118177602
phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate
CID 21184977
[4-(4-hydroxyphenyl)phenyl] phenyl carbonate
CID 146436469

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate?
The IUPAC name of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate (CID 58351625) is [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate.
What is the SMILES notation for [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate?
The canonical SMILES for [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate is CC(C)(c1ccccc1)c1ccc(OC(=O)Oc2ccc(C(C)(C)c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate?
The InChIKey is PUAYKYRAVWNRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O4/c1-30(2,22-8-6-5-7-9-22)24-12-18-27(19-13-24)34-29(33)35-28-20-14-25(15-21-28)31(3,4)23-10-16-26(32)17-11-23/h5-21,32H,1-4H3.
What are the key properties of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate?
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate has a molecular weight of 466.58 g/mol, XLogP of 7.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate is sourced from PubChem (CID 58351625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).