[4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate

C29H23NO6 — CID 89329547

IUPAC[4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate
SMILESCOC(=O)Cc1ccc(C(=O)Nc2ccc(C(=O)Oc3ccc(-c4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H23NO6/c1-35-27(32)18-19-2-4-22(5-3-19)28(33)30-24-12-6-23(7-13-24)29(34)36-26-16-10-21(11-17-26)20-8-14-25(31)15-9-20/h2-17,31H,18H2,1H3,(H,30,33)
InChIKeyWBAQSHRBHJXXHY-UHFFFAOYSA-N
MW481.50 g/mol
LogP5.25
Rot. Bonds7

About [4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate

[4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate (PubChem CID 89329547) has the molecular formula C29H23NO6 and a molecular weight of 481.50 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate
PubChem CID89329547
Molecular FormulaC29H23NO6
Molecular Weight481.50 g/mol
Exact Mass481.15
IUPAC Name[4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate
SMILESCOC(=O)Cc1ccc(C(=O)Nc2ccc(C(=O)Oc3ccc(-c4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H23NO6/c1-35-27(32)18-19-2-4-22(5-3-19)28(33)30-24-12-6-23(7-13-24)29(34)36-26-16-10-21(11-17-26)20-8-14-25(31)15-9-20/h2-17,31H,18H2,1H3,(H,30,33)
InChIKeyWBAQSHRBHJXXHY-UHFFFAOYSA-N
XLogP5.25
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.50
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
[4-[[4-[4-[4-(2-hydroxy-4-methoxybenzoyl)oxybenzoyl]oxyphenyl]phenyl]carbamoyl]phenyl] 2-hydroxy-4-methoxybenzoate
CID 89268703
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
3-[4-(4-hydroxybenzoyl)oxyphenyl]-2-[[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]propanoic acid
CID 76818988
methyl 2-[4-[(4-cyanobenzoyl)amino]phenyl]acetate
CID 36829844
[4-[2-(4-methylphenyl)-2-oxoethyl]phenyl] 4-hydroxybenzoate
CID 89329144
[4-[[4-[[4-[(4-acetyloxybenzoyl)amino]phenyl]methyl]phenyl]carbamoyl]phenyl] acetate
CID 10324446
(4-benzamidophenyl) benzoate
CID 569583
methyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate
CID 157041387

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate?
The IUPAC name of [4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate (CID 89329547) is [4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate.
What is the SMILES notation for [4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate?
The canonical SMILES for [4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate is COC(=O)Cc1ccc(C(=O)Nc2ccc(C(=O)Oc3ccc(-c4ccc(O)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate?
The InChIKey is WBAQSHRBHJXXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO6/c1-35-27(32)18-19-2-4-22(5-3-19)28(33)30-24-12-6-23(7-13-24)29(34)36-26-16-10-21(11-17-26)20-8-14-25(31)15-9-20/h2-17,31H,18H2,1H3,(H,30,33).
What are the key properties of [4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate?
[4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate has a molecular weight of 481.50 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 89329547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).