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

C24H24O6 — CID 8019810

IUPAC(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)Oc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H24O6/c1-26-21-13-18(14-22(27-2)24(21)28-3)15-23(25)30-20-11-9-19(10-12-20)29-16-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3
InChIKeyFZHMLYZKRLZXEX-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.44
Rot. Bonds9

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

(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 8019810) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID8019810
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)Oc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H24O6/c1-26-21-13-18(14-22(27-2)24(21)28-3)15-23(25)30-20-11-9-19(10-12-20)29-16-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3
InChIKeyFZHMLYZKRLZXEX-UHFFFAOYSA-N
XLogP4.44
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 7926501
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
[4-(2-methoxyethyl)phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8867360
(4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate
CID 16644851
[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 101165003
(3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate
CID 9095553
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
[1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 42975575
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of (4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate (CID 8019810) is (4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for (4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for (4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate is COc1cc(CC(=O)Oc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of (4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is FZHMLYZKRLZXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O6/c1-26-21-13-18(14-22(27-2)24(21)28-3)15-23(25)30-20-11-9-19(10-12-20)29-16-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3.
What are the key properties of (4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate?
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 408.45 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 8019810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).