(3,4-dimethylphenyl) 3,4-dimethoxybenzoate

C17H18O4 — CID 723808

IUPAC(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C17H18O4/c1-11-5-7-14(9-12(11)2)21-17(18)13-6-8-15(19-3)16(10-13)20-4/h5-10H,1-4H3
InChIKeyOLAUVAKXKUTKGE-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.54
Rot. Bonds4

About (3,4-dimethylphenyl) 3,4-dimethoxybenzoate

(3,4-dimethylphenyl) 3,4-dimethoxybenzoate (PubChem CID 723808) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3,4-dimethylphenyl) 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
PubChem CID723808
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C17H18O4/c1-11-5-7-14(9-12(11)2)21-17(18)13-6-8-15(19-3)16(10-13)20-4/h5-10H,1-4H3
InChIKeyOLAUVAKXKUTKGE-UHFFFAOYSA-N
XLogP3.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethylphenyl) 4-methoxybenzoate
CID 4928836
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
[3-chloro-4-(3,4-dimethoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 994063
bis(3,4-dimethylphenyl) benzene-1,3-dicarboxylate
CID 3126003
methyl 4-[2-(3,4-dimethylphenoxy)propanoyloxy]-3-methoxybenzoate
CID 2900157
[3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 118547379
(4-methylphenyl) 4-methoxy-3-methylbenzoate
CID 145312740
(4-methoxy-3-methylphenyl) 4-ethylbenzoate
CID 145123252
(3,4-dimethylphenyl) 4-chlorobenzoate
CID 723826
(4-methoxy-3-methylphenyl) 4-formyloxybenzoate
CID 145128085
(2-acetyl-5-methoxyphenyl) 3,4-dimethoxybenzoate
CID 889085
(4-chloro-3-methylphenyl) 3-iodo-4-methoxybenzoate
CID 5153696

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl) 3,4-dimethoxybenzoate?
The IUPAC name of (3,4-dimethylphenyl) 3,4-dimethoxybenzoate (CID 723808) is (3,4-dimethylphenyl) 3,4-dimethoxybenzoate.
What is the SMILES notation for (3,4-dimethylphenyl) 3,4-dimethoxybenzoate?
The canonical SMILES for (3,4-dimethylphenyl) 3,4-dimethoxybenzoate is COc1ccc(C(=O)Oc2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of (3,4-dimethylphenyl) 3,4-dimethoxybenzoate?
The InChIKey is OLAUVAKXKUTKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-11-5-7-14(9-12(11)2)21-17(18)13-6-8-15(19-3)16(10-13)20-4/h5-10H,1-4H3.
What are the key properties of (3,4-dimethylphenyl) 3,4-dimethoxybenzoate?
(3,4-dimethylphenyl) 3,4-dimethoxybenzoate has a molecular weight of 286.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl) 3,4-dimethoxybenzoate is sourced from PubChem (CID 723808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).