2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid

C17H18O6 — CID 86019281

IUPAC2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid
SMILESCOc1cccc(Oc2cc(OC)c(OC)cc2CC(=O)O)c1
InChIInChI=1S/C17H18O6/c1-20-12-5-4-6-13(9-12)23-14-10-16(22-3)15(21-2)7-11(14)8-17(18)19/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyIXYJRVDPWRELOE-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.13
Rot. Bonds7

About 2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid

2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid (PubChem CID 86019281) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid
PubChem CID86019281
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid
SMILESCOc1cccc(Oc2cc(OC)c(OC)cc2CC(=O)O)c1
InChIInChI=1S/C17H18O6/c1-20-12-5-4-6-13(9-12)23-14-10-16(22-3)15(21-2)7-11(14)8-17(18)19/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyIXYJRVDPWRELOE-UHFFFAOYSA-N
XLogP3.13
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid 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

2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43314159
2-(2,5-dimethoxy-4-phenylphenyl)acetic acid
CID 4270797
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid
CID 117353062
2-[3-fluoro-5-(3-methoxyphenyl)phenyl]acetic acid
CID 165436057
2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid
CID 141247390
4-hydroxy-4-(3-methoxyphenoxy)pentanoic acid
CID 68841410

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid?
The IUPAC name of 2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid (CID 86019281) is 2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid is COc1cccc(Oc2cc(OC)c(OC)cc2CC(=O)O)c1.
What is the InChIKey of 2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid?
The InChIKey is IXYJRVDPWRELOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O6/c1-20-12-5-4-6-13(9-12)23-14-10-16(22-3)15(21-2)7-11(14)8-17(18)19/h4-7,9-10H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid?
2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid has a molecular weight of 318.33 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethoxy-2-(3-methoxyphenoxy)phenyl]acetic acid is sourced from PubChem (CID 86019281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).