[2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate

C30H26O7 — CID 67610750

IUPAC[2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate
SMILESO=C(Oc1ccccc1Oc1ccccc1OC(=O)C(CO)c1ccccc1)C(CO)c1ccccc1
InChIInChI=1S/C30H26O7/c31-19-23(21-11-3-1-4-12-21)29(33)36-27-17-9-7-15-25(27)35-26-16-8-10-18-28(26)37-30(34)24(20-32)22-13-5-2-6-14-22/h1-18,23-24,31-32H,19-20H2
InChIKeyQYWWHGJRBVFJQN-UHFFFAOYSA-N
MW498.53 g/mol
LogP4.84
Rot. Bonds10

About [2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate

[2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate (PubChem CID 67610750) has the molecular formula C30H26O7 and a molecular weight of 498.53 g/mol. Its IUPAC name is [2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate.

Molecular Properties

Compound Name[2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate
PubChem CID67610750
Molecular FormulaC30H26O7
Molecular Weight498.53 g/mol
Exact Mass498.17
IUPAC Name[2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate
SMILESO=C(Oc1ccccc1Oc1ccccc1OC(=O)C(CO)c1ccccc1)C(CO)c1ccccc1
InChIInChI=1S/C30H26O7/c31-19-23(21-11-3-1-4-12-21)29(33)36-27-17-9-7-15-25(27)35-26-16-8-10-18-28(26)37-30(34)24(20-32)22-13-5-2-6-14-22/h1-18,23-24,31-32H,19-20H2
InChIKeyQYWWHGJRBVFJQN-UHFFFAOYSA-N
XLogP4.84
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethenyl 3-hydroxy-2-phenylpropanoate
CID 168863164
CID 87209027
CID 87209027
3-hydroxy-1-(2-hydroxyphenyl)-2-phenylpropan-1-one
CID 175475394
N-ethoxy-3-hydroxy-2-phenylpropanamide
CID 121218721
(2,5-dihydroxy-1H-pyrrol-3-yl) 2-phenylhexanoate
CID 54134916
[2-(2,3-dimethylbutanoyloxy)phenyl] 2,3-dimethylbutanoate
CID 118108385
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111
1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one
CID 122226240
N-methylmethanamine;octan-4-yl 3-hydroxy-2-phenylpropanoate
CID 155594508
nonan-3-yl 3-hydroxy-2-phenylpropanoate;trihydrate;hydrobromide
CID 162337971
[2-(2-ethylbutanoyloxy)phenyl] 2-ethylbutanoate
CID 118108382
methyl 4-hydroxy-2-methylidene-3-phenylbutanoate
CID 10632091

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate?
The IUPAC name of [2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate (CID 67610750) is [2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate.
What is the SMILES notation for [2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate?
The canonical SMILES for [2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate is O=C(Oc1ccccc1Oc1ccccc1OC(=O)C(CO)c1ccccc1)C(CO)c1ccccc1.
What is the InChIKey of [2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate?
The InChIKey is QYWWHGJRBVFJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O7/c31-19-23(21-11-3-1-4-12-21)29(33)36-27-17-9-7-15-25(27)35-26-16-8-10-18-28(26)37-30(34)24(20-32)22-13-5-2-6-14-22/h1-18,23-24,31-32H,19-20H2.
What are the key properties of [2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate?
[2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate has a molecular weight of 498.53 g/mol, XLogP of 4.84, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-hydroxy-2-phenylpropanoyl)oxyphenoxy]phenyl] 3-hydroxy-2-phenylpropanoate is sourced from PubChem (CID 67610750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).