(3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate

C17H18O5 — CID 596736

IUPAC(3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate
SMILESCOc1cc(C)cc(OC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C17H18O5/c1-11-5-13(19-2)10-16(6-11)22-17(18)12-7-14(20-3)9-15(8-12)21-4/h5-10H,1-4H3
InChIKeyUGGVITWPKFHTSG-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.24
Rot. Bonds5

About (3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate

(3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate (PubChem CID 596736) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is (3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name(3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate
PubChem CID596736
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name(3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate
SMILESCOc1cc(C)cc(OC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C17H18O5/c1-11-5-13(19-2)10-16(6-11)22-17(18)12-7-14(20-3)9-15(8-12)21-4/h5-10H,1-4H3
InChIKeyUGGVITWPKFHTSG-UHFFFAOYSA-N
XLogP3.24
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-acetyl-5-[3-hydroxy-5-(3-hydroxy-5-methoxybenzoyl)oxybenzoyl]oxyphenyl] 3-(3,5-dimethoxybenzoyl)oxy-5-methylbenzoate
CID 58711121
(2-bromo-4-methylphenyl) 3,5-dimethoxybenzoate
CID 7917990
[3,5-bis[(3,4,5-trimethylbenzoyl)oxy]phenyl] 3,4,5-trimethylbenzoate
CID 54311853
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
[3,5-bis[(3,4,5-trimethoxybenzoyl)oxy]phenyl] 3,4,5-trimethoxybenzoate
CID 67989294
[3-(3-acetyloxy-5-methylphenyl)-3-oxopropyl] 3-methoxy-5-methylbenzoate
CID 122607025
3-benzoyloxy-5-methylbenzoic acid
CID 54219565
(3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate
CID 8753296
[3-(3,5-dihydroxybenzoyl)oxy-5-(4-methylphenoxy)carbonylphenyl] 3,5-dihydroxybenzoate
CID 58912231
(3,5-dimethylphenyl) 4-cyanobenzoate
CID 4812788
(2-methyl-1,3-benzoxazol-6-yl) 3,5-dimethoxybenzoate
CID 110494414
tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate?
The IUPAC name of (3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate (CID 596736) is (3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate.
What is the SMILES notation for (3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate?
The canonical SMILES for (3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate is COc1cc(C)cc(OC(=O)c2cc(OC)cc(OC)c2)c1.
What is the InChIKey of (3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate?
The InChIKey is UGGVITWPKFHTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-11-5-13(19-2)10-16(6-11)22-17(18)12-7-14(20-3)9-15(8-12)21-4/h5-10H,1-4H3.
What are the key properties of (3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate?
(3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate has a molecular weight of 302.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate is sourced from PubChem (CID 596736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).