[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate

C38H34O7 — CID 89098058

IUPAC[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate
SMILESCC(C)(c1ccc(O)cc1)c1ccc(OC(=O)Oc2ccccc2C(=O)Oc2ccc(C(C)(C)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C38H34O7/c1-37(2,25-9-17-29(39)18-10-25)27-13-21-31(22-14-27)43-35(41)33-7-5-6-8-34(33)45-36(42)44-32-23-15-28(16-24-32)38(3,4)26-11-19-30(40)20-12-26/h5-24,39-40H,1-4H3
InChIKeySEJTTZIZYSAFAA-UHFFFAOYSA-N
MW602.68 g/mol
LogP8.55
Rot. Bonds8

About [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate

[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate (PubChem CID 89098058) has the molecular formula C38H34O7 and a molecular weight of 602.68 g/mol. Its IUPAC name is [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate.

Molecular Properties

Compound Name[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate
PubChem CID89098058
Molecular FormulaC38H34O7
Molecular Weight602.68 g/mol
Exact Mass602.23
IUPAC Name[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate
SMILESCC(C)(c1ccc(O)cc1)c1ccc(OC(=O)Oc2ccccc2C(=O)Oc2ccc(C(C)(C)c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C38H34O7/c1-37(2,25-9-17-29(39)18-10-25)27-13-21-31(22-14-27)43-35(41)33-7-5-6-8-34(33)45-36(42)44-32-23-15-28(16-24-32)38(3,4)26-11-19-30(40)20-12-26/h5-24,39-40H,1-4H3
InChIKeySEJTTZIZYSAFAA-UHFFFAOYSA-N
XLogP8.55
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.68
LogP ≤ 58.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate
CID 54208254
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
CID 58351625
phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate
CID 21184977
(4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate
CID 57464622
bis[4-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] benzene-1,4-dicarboxylate
CID 102500670
[4-[2-[4-[4-[2-(4-hydroperoxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] benzoate
CID 118177602
[4-(2-phenylpropan-2-yl)phenyl] 2-hydroxy-5-(2-phenylpropan-2-yl)benzoate
CID 23468248
[4-(2-phenylpropan-2-yl)phenoxy]carbonyl 2-propoxybenzoate
CID 87788120
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-bromo-2-methylpropanoate
CID 101191413
bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate
CID 66629129
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 3,5-dibromo-4-hydroxybenzoate
CID 102279505
biphenylene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 68577534

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate?
The IUPAC name of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate (CID 89098058) is [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate.
What is the SMILES notation for [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate?
The canonical SMILES for [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate is CC(C)(c1ccc(O)cc1)c1ccc(OC(=O)Oc2ccccc2C(=O)Oc2ccc(C(C)(C)c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate?
The InChIKey is SEJTTZIZYSAFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34O7/c1-37(2,25-9-17-29(39)18-10-25)27-13-21-31(22-14-27)43-35(41)33-7-5-6-8-34(33)45-36(42)44-32-23-15-28(16-24-32)38(3,4)26-11-19-30(40)20-12-26/h5-24,39-40H,1-4H3.
What are the key properties of [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate?
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate has a molecular weight of 602.68 g/mol, XLogP of 8.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate is sourced from PubChem (CID 89098058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).