3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid

C19H22O6 — CID 20992180

IUPAC3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid
SMILESCOc1cccc(OCCOc2c(CCC(=O)O)cccc2OC)c1
InChIInChI=1S/C19H22O6/c1-22-15-6-4-7-16(13-15)24-11-12-25-19-14(9-10-18(20)21)5-3-8-17(19)23-2/h3-8,13H,9-12H2,1-2H3,(H,20,21)
InChIKeyBCAIDLMGVCSHRO-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.18
Rot. Bonds10

About 3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid

3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid (PubChem CID 20992180) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid
PubChem CID20992180
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid
SMILESCOc1cccc(OCCOc2c(CCC(=O)O)cccc2OC)c1
InChIInChI=1S/C19H22O6/c1-22-15-6-4-7-16(13-15)24-11-12-25-19-14(9-10-18(20)21)5-3-8-17(19)23-2/h3-8,13H,9-12H2,1-2H3,(H,20,21)
InChIKeyBCAIDLMGVCSHRO-UHFFFAOYSA-N
XLogP3.18
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]propanoic acid
CID 20994175
3-[5-bromo-3-methoxy-2-(2-phenoxyethoxy)phenyl]propanoic acid
CID 20990381
3-[2-[2-(2-tert-butyl-6-methylphenoxy)ethoxy]-3-methoxyphenyl]propanoic acid
CID 20987527
3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one
CID 82185105
4-[[2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 20989636
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666
4-(2,3-dimethoxyphenyl)butanoic acid;hydrochloride
CID 139764480
4-(2-ethoxy-3-methoxyphenyl)-2-oxobutanoic acid
CID 82185770
3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid
CID 22687548
3-[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20993456
4-[2-[3-[2-(3-methoxyphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22685572
3-(2-ethyl-3-methoxyphenyl)propanoic acid
CID 117297447

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid?
The IUPAC name of 3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid (CID 20992180) is 3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid is COc1cccc(OCCOc2c(CCC(=O)O)cccc2OC)c1.
What is the InChIKey of 3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid?
The InChIKey is BCAIDLMGVCSHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6/c1-22-15-6-4-7-16(13-15)24-11-12-25-19-14(9-10-18(20)21)5-3-8-17(19)23-2/h3-8,13H,9-12H2,1-2H3,(H,20,21).
What are the key properties of 3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid?
3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid has a molecular weight of 346.38 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-2-[2-(3-methoxyphenoxy)ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 20992180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).