2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid

C19H22O6 — CID 1209089

IUPAC2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid
SMILESCOc1ccc(Cc2cc(OC)c(OC)cc2CC(=O)O)cc1OC
InChIInChI=1S/C19H22O6/c1-22-15-6-5-12(8-16(15)23-2)7-13-9-17(24-3)18(25-4)10-14(13)11-19(20)21/h5-6,8-10H,7,11H2,1-4H3,(H,20,21)
InChIKeyOUUSKTSUJRVZEU-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.94
Rot. Bonds8

About 2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid

2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid (PubChem CID 1209089) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid
PubChem CID1209089
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid
SMILESCOc1ccc(Cc2cc(OC)c(OC)cc2CC(=O)O)cc1OC
InChIInChI=1S/C19H22O6/c1-22-15-6-5-12(8-16(15)23-2)7-13-9-17(24-3)18(25-4)10-14(13)11-19(20)21/h5-6,8-10H,7,11H2,1-4H3,(H,20,21)
InChIKeyOUUSKTSUJRVZEU-UHFFFAOYSA-N
XLogP2.94
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxybenzaldehyde
CID 11034426
2-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82369380
2-[(3,4-dimethoxyphenyl)methoxy]acetic acid
CID 10727925
2-[(3,4-dimethoxyphenyl)methyl]-2-[[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methyl]-5,6-dimethoxyindene-1,3-dione
CID 11679092
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
bis[2-[(3,4-dimethoxyphenyl)methyl]-4-nitrophenyl] carbonate
CID 142685893
1-(3,4-dimethoxyphenyl)-4-methylpentan-3-one
CID 64503586
2-chloro-3-(3,4-dimethoxyphenyl)propanoic acid
CID 83969809
bis[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanone
CID 54160091
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
3-[3-carboxy-4-[(3,4-dimethoxyphenyl)methyl]-2-nitrophenoxy]-6-[(3,4-dimethoxyphenyl)methyl]-2-nitrobenzoic acid
CID 88684809

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid?
The IUPAC name of 2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid (CID 1209089) is 2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid?
The canonical SMILES for 2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid is COc1ccc(Cc2cc(OC)c(OC)cc2CC(=O)O)cc1OC.
What is the InChIKey of 2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid?
The InChIKey is OUUSKTSUJRVZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6/c1-22-15-6-5-12(8-16(15)23-2)7-13-9-17(24-3)18(25-4)10-14(13)11-19(20)21/h5-6,8-10H,7,11H2,1-4H3,(H,20,21).
What are the key properties of 2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid?
2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid has a molecular weight of 346.38 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]acetic acid is sourced from PubChem (CID 1209089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).