phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate

C29H24O6 — CID 21184977

IUPACphenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate
SMILESCC(C)(c1ccc(OC(=O)Oc2ccccc2)cc1)c1ccc(O)c(C(=O)Oc2ccccc2)c1
InChIInChI=1S/C29H24O6/c1-29(2,20-13-16-24(17-14-20)35-28(32)34-23-11-7-4-8-12-23)21-15-18-26(30)25(19-21)27(31)33-22-9-5-3-6-10-22/h3-19,30H,1-2H3
InChIKeyQTRXYZJWMZJFDT-UHFFFAOYSA-N
MW468.51 g/mol
LogP6.52
Rot. Bonds6

About phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate

phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate (PubChem CID 21184977) has the molecular formula C29H24O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate.

Molecular Properties

Compound Namephenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate
PubChem CID21184977
Molecular FormulaC29H24O6
Molecular Weight468.51 g/mol
Exact Mass468.16
IUPAC Namephenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate
SMILESCC(C)(c1ccc(OC(=O)Oc2ccccc2)cc1)c1ccc(O)c(C(=O)Oc2ccccc2)c1
InChIInChI=1S/C29H24O6/c1-29(2,20-13-16-24(17-14-20)35-28(32)34-23-11-7-4-8-12-23)21-15-18-26(30)25(19-21)27(31)33-22-9-5-3-6-10-22/h3-19,30H,1-2H3
InChIKeyQTRXYZJWMZJFDT-UHFFFAOYSA-N
XLogP6.52
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-phenylpropan-2-yl)phenyl] 2-hydroxy-5-(2-phenylpropan-2-yl)benzoate
CID 23468248
diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 170853175
bis[4-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] benzene-1,4-dicarboxylate
CID 102500670
[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
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate
CID 89098058
[4-[2-[4-[4-[2-(4-hydroperoxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] benzoate
CID 118177602
diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl] benzoate;propan-2-one
CID 162200473
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate
CID 21184995
[4-[2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] benzoate;phenyl acetate;propan-2-one
CID 159781668

Frequently Asked Questions

What is the IUPAC name of phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate?
The IUPAC name of phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate (CID 21184977) is phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate.
What is the SMILES notation for phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate?
The canonical SMILES for phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate is CC(C)(c1ccc(OC(=O)Oc2ccccc2)cc1)c1ccc(O)c(C(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate?
The InChIKey is QTRXYZJWMZJFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O6/c1-29(2,20-13-16-24(17-14-20)35-28(32)34-23-11-7-4-8-12-23)21-15-18-26(30)25(19-21)27(31)33-22-9-5-3-6-10-22/h3-19,30H,1-2H3.
What are the key properties of phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate?
phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate has a molecular weight of 468.51 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate is sourced from PubChem (CID 21184977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).