(2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate

C30H26O5 — CID 70637339

IUPAC(2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate
SMILESCC(C)(C)c1ccccc1-c1ccc(C(=O)Oc2ccccc2C(=O)Oc2ccccc2)c(O)c1
InChIInChI=1S/C30H26O5/c1-30(2,3)25-15-9-7-13-22(25)20-17-18-23(26(31)19-20)28(32)35-27-16-10-8-14-24(27)29(33)34-21-11-5-4-6-12-21/h4-19,31H,1-3H3
InChIKeyCRBHRKPDKUZICG-UHFFFAOYSA-N
MW466.53 g/mol
LogP6.80
Rot. Bonds5

About (2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate

(2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate (PubChem CID 70637339) has the molecular formula C30H26O5 and a molecular weight of 466.53 g/mol. Its IUPAC name is (2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate.

Molecular Properties

Compound Name(2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate
PubChem CID70637339
Molecular FormulaC30H26O5
Molecular Weight466.53 g/mol
Exact Mass466.18
IUPAC Name(2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate
SMILESCC(C)(C)c1ccccc1-c1ccc(C(=O)Oc2ccccc2C(=O)Oc2ccccc2)c(O)c1
InChIInChI=1S/C30H26O5/c1-30(2,3)25-15-9-7-13-22(25)20-17-18-23(26(31)19-20)28(32)35-27-16-10-8-14-24(27)29(33)34-21-11-5-4-6-12-21/h4-19,31H,1-3H3
InChIKeyCRBHRKPDKUZICG-UHFFFAOYSA-N
XLogP6.80
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.53
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate?
The IUPAC name of (2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate (CID 70637339) is (2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate.
What is the SMILES notation for (2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate?
The canonical SMILES for (2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate is CC(C)(C)c1ccccc1-c1ccc(C(=O)Oc2ccccc2C(=O)Oc2ccccc2)c(O)c1.
What is the InChIKey of (2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate?
The InChIKey is CRBHRKPDKUZICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O5/c1-30(2,3)25-15-9-7-13-22(25)20-17-18-23(26(31)19-20)28(32)35-27-16-10-8-14-24(27)29(33)34-21-11-5-4-6-12-21/h4-19,31H,1-3H3.
What are the key properties of (2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate?
(2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate has a molecular weight of 466.53 g/mol, XLogP of 6.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxycarbonylphenyl) 4-(2-tert-butylphenyl)-2-hydroxybenzoate is sourced from PubChem (CID 70637339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).