2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane

C22H30O8 — CID 158012551

IUPAC2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane
SMILESC1CCOC1.COc1cccc(OCC(=O)O)c1.COc1cccc(OCCO)c1
InChIInChI=1S/C9H10O4.C9H12O3.C4H8O/c1-12-7-3-2-4-8(5-7)13-6-9(10)11;1-11-8-3-2-4-9(7-8)12-6-5-10;1-2-4-5-3-1/h2-5H,6H2,1H3,(H,10,11);2-4,7,10H,5-6H2,1H3;1-4H2
InChIKeyFFBKVNFGMJBGPP-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.02
Rot. Bonds8

About 2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane

2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane (PubChem CID 158012551) has the molecular formula C22H30O8 and a molecular weight of 422.47 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane
PubChem CID158012551
Molecular FormulaC22H30O8
Molecular Weight422.47 g/mol
Exact Mass422.19
IUPAC Name2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane
SMILESC1CCOC1.COc1cccc(OCC(=O)O)c1.COc1cccc(OCCO)c1
InChIInChI=1S/C9H10O4.C9H12O3.C4H8O/c1-12-7-3-2-4-8(5-7)13-6-9(10)11;1-11-8-3-2-4-9(7-8)12-6-5-10;1-2-4-5-3-1/h2-5H,6H2,1H3,(H,10,11);2-4,7,10H,5-6H2,1H3;1-4H2
InChIKeyFFBKVNFGMJBGPP-UHFFFAOYSA-N
XLogP3.02
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-morpholin-4-ylethyl 2-(3-methoxyphenoxy)acetate;hydrochloride
CID 23620383
2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid
CID 110837124
2-[3-(3-sulfopropoxy)phenoxy]acetic acid
CID 57249384
4-(3-methoxyphenoxy)-1-phenylbutan-1-one
CID 43218335
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
2-[3-(2-hydroxyethyl)phenoxy]acetic acid
CID 19830841
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid
CID 119216678
(3-methoxyphenoxy)methanol
CID 10442564
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7722413
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane?
The IUPAC name of 2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane (CID 158012551) is 2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane.
What is the SMILES notation for 2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane?
The canonical SMILES for 2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane is C1CCOC1.COc1cccc(OCC(=O)O)c1.COc1cccc(OCCO)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane?
The InChIKey is FFBKVNFGMJBGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4.C9H12O3.C4H8O/c1-12-7-3-2-4-8(5-7)13-6-9(10)11;1-11-8-3-2-4-9(7-8)12-6-5-10;1-2-4-5-3-1/h2-5H,6H2,1H3,(H,10,11);2-4,7,10H,5-6H2,1H3;1-4H2.
What are the key properties of 2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane?
2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane has a molecular weight of 422.47 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)acetic acid;2-(3-methoxyphenoxy)ethanol;oxolane is sourced from PubChem (CID 158012551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).