2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid

C17H18O7 — CID 141247390

IUPAC2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(OC)cc(Oc2cc(OC)c(OC)cc2C(=O)O)c1
InChIInChI=1S/C17H18O7/c1-20-10-5-11(21-2)7-12(6-10)24-14-9-16(23-4)15(22-3)8-13(14)17(18)19/h5-9H,1-4H3,(H,18,19)
InChIKeyQMDQASYEMUQJEQ-UHFFFAOYSA-N
MW334.32 g/mol
LogP3.21
Rot. Bonds7

About 2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid

2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid (PubChem CID 141247390) has the molecular formula C17H18O7 and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid
PubChem CID141247390
Molecular FormulaC17H18O7
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(OC)cc(Oc2cc(OC)c(OC)cc2C(=O)O)c1
InChIInChI=1S/C17H18O7/c1-20-10-5-11(21-2)7-12(6-10)24-14-9-16(23-4)15(22-3)8-13(14)17(18)19/h5-9H,1-4H3,(H,18,19)
InChIKeyQMDQASYEMUQJEQ-UHFFFAOYSA-N
XLogP3.21
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-carboxy-4,5-dimethoxyphenolate
CID 86306376
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
2,4-bis(4-methoxyphenoxy)-5-sulfamoylbenzoic acid
CID 21487311
2-(3,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309181
N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 2200296
2-amino-5-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708170
2,4-dimethoxybenzoic acid
CID 7052
2,4-difluoro-5-methoxybenzoic acid
CID 117280967
2,4-dimethoxybenzoic acid
CID 67450326
2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
CID 62946260
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
2-carboxy-4,5-dimethoxybenzenediazonium chloride
CID 13163159

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid (CID 141247390) is 2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid is COc1cc(OC)cc(Oc2cc(OC)c(OC)cc2C(=O)O)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid?
The InChIKey is QMDQASYEMUQJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O7/c1-20-10-5-11(21-2)7-12(6-10)24-14-9-16(23-4)15(22-3)8-13(14)17(18)19/h5-9H,1-4H3,(H,18,19).
What are the key properties of 2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid?
2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid has a molecular weight of 334.32 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 141247390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).