(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate

C23H22O5 — CID 7926501

IUPAC(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)Oc2ccc(-c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H22O5/c1-25-20-13-16(14-21(26-2)23(20)27-3)15-22(24)28-19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3
InChIKeyAWOOMHOLJBNWDA-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.53
Rot. Bonds7

About (4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate

(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 7926501) has the molecular formula C23H22O5 and a molecular weight of 378.42 g/mol. Its IUPAC name is (4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID7926501
Molecular FormulaC23H22O5
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)Oc2ccc(-c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H22O5/c1-25-20-13-16(14-21(26-2)23(20)27-3)15-22(24)28-19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3
InChIKeyAWOOMHOLJBNWDA-UHFFFAOYSA-N
XLogP4.53
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
[4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8867360
1H-indol-5-yl 2-(3,4,5-trimethoxyphenyl)acetate
CID 89364974
[4-(tetrazol-1-yl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 7758660
(2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 7921059
naphthalen-2-yl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 2677389
N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7914938
N',N'-diphenyl-2-(3,4,5-trimethoxyphenyl)acetohydrazide
CID 7927150
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
[4-(3,4-dimethoxyphenyl)naphthalen-2-yl] 2-phenylacetate
CID 154707043
N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide
CID 36936630

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of (4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate (CID 7926501) is (4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for (4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for (4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate is COc1cc(CC(=O)Oc2ccc(-c3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of (4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is AWOOMHOLJBNWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O5/c1-25-20-13-16(14-21(26-2)23(20)27-3)15-22(24)28-19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3.
What are the key properties of (4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 378.42 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 7926501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).