[3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate

C29H26O4 — CID 174564849

IUPAC[3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate
SMILESCOc1ccc(-c2cccc(-c3ccccc3)c2-c2ccccc2)c(OC)c1COC(C)=O
InChIInChI=1S/C29H26O4/c1-20(30)33-19-26-27(31-2)18-17-25(29(26)32-3)24-16-10-15-23(21-11-6-4-7-12-21)28(24)22-13-8-5-9-14-22/h4-18H,19H2,1-3H3
InChIKeyJQDRIZLSHFTBEC-UHFFFAOYSA-N
MW438.52 g/mol
LogP6.77
Rot. Bonds7

About [3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate

[3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate (PubChem CID 174564849) has the molecular formula C29H26O4 and a molecular weight of 438.52 g/mol. Its IUPAC name is [3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate.

Molecular Properties

Compound Name[3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate
PubChem CID174564849
Molecular FormulaC29H26O4
Molecular Weight438.52 g/mol
Exact Mass438.18
IUPAC Name[3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate
SMILESCOc1ccc(-c2cccc(-c3ccccc3)c2-c2ccccc2)c(OC)c1COC(C)=O
InChIInChI=1S/C29H26O4/c1-20(30)33-19-26-27(31-2)18-17-25(29(26)32-3)24-16-10-15-23(21-11-6-4-7-12-21)28(24)22-13-8-5-9-14-22/h4-18H,19H2,1-3H3
InChIKeyJQDRIZLSHFTBEC-UHFFFAOYSA-N
XLogP6.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxy-6-methoxyphenyl)methyl acetate
CID 162054633
[3-(2,3-dimethoxyphenyl)phenyl]methyl acetate
CID 175266062
2,6-dimethoxy-3-phenylbenzamide
CID 68897697
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922
[2-[6-(acetyloxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methyl acetate
CID 44579021
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
methyl 3-(benzoyloxymethyl)-6,7-dimethoxy-4-(2-phenylphenyl)naphthalene-2-carboxylate
CID 177436450
(4-acetyloxy-2-benzyl-6-methoxy-1-oxo-3H-isoindol-5-yl)methyl acetate
CID 53472981
2,6-dimethoxy-3-phenylbenzoyl chloride
CID 141166869
(3-amino-2,4,6-trimethoxyphenyl)methyl acetate
CID 134894740
pentan-3-one;1,2,3-triphenylbenzene
CID 174581900

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate?
The IUPAC name of [3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate (CID 174564849) is [3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate.
What is the SMILES notation for [3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate?
The canonical SMILES for [3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate is COc1ccc(-c2cccc(-c3ccccc3)c2-c2ccccc2)c(OC)c1COC(C)=O.
What is the InChIKey of [3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate?
The InChIKey is JQDRIZLSHFTBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O4/c1-20(30)33-19-26-27(31-2)18-17-25(29(26)32-3)24-16-10-15-23(21-11-6-4-7-12-21)28(24)22-13-8-5-9-14-22/h4-18H,19H2,1-3H3.
What are the key properties of [3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate?
[3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate has a molecular weight of 438.52 g/mol, XLogP of 6.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-diphenylphenyl)-2,6-dimethoxyphenyl]methyl acetate is sourced from PubChem (CID 174564849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).