(3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate

C18H20O5 — CID 8753296

IUPAC(3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate
SMILESCOc1cc(OC)cc(OC(=O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H20O5/c1-12-5-13(2)7-16(6-12)22-11-18(19)23-17-9-14(20-3)8-15(10-17)21-4/h5-10H,11H2,1-4H3
InChIKeySVUVLAIBNGUTQZ-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.31
Rot. Bonds6

About (3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate

(3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate (PubChem CID 8753296) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate
PubChem CID8753296
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name(3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate
SMILESCOc1cc(OC)cc(OC(=O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H20O5/c1-12-5-13(2)7-16(6-12)22-11-18(19)23-17-9-14(20-3)8-15(10-17)21-4/h5-10H,11H2,1-4H3
InChIKeySVUVLAIBNGUTQZ-UHFFFAOYSA-N
XLogP3.31
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.31
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

ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445
2-(3-methoxy-5-methylphenoxy)acetic acid
CID 55264388
(3,5-dimethylphenyl) 2-(3-methylphenoxy)acetate
CID 19167596
4-[2-(3,5-dimethylphenoxy)acetyl]oxybenzoic acid
CID 54854887
(3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate
CID 8758809
(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8758790
(4-chloro-3,5-dimethylphenyl) 2-(4-chloro-3,5-dimethylphenoxy)acetate
CID 19170867
1-(3,5-dimethoxyphenoxy)propan-2-one
CID 43411971
1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one
CID 107507960
(3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate
CID 596736
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
bis(3,5-dimethylphenyl) hexanedioate
CID 91711674

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate?
The IUPAC name of (3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate (CID 8753296) is (3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate.
What is the SMILES notation for (3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate?
The canonical SMILES for (3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate is COc1cc(OC)cc(OC(=O)COc2cc(C)cc(C)c2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate?
The InChIKey is SVUVLAIBNGUTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-12-5-13(2)7-16(6-12)22-11-18(19)23-17-9-14(20-3)8-15(10-17)21-4/h5-10H,11H2,1-4H3.
What are the key properties of (3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate?
(3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate has a molecular weight of 316.35 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate is sourced from PubChem (CID 8753296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).