2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid

C14H20O6 — CID 103377839

IUPAC2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid
SMILESCOc1cccc(C(OC(C)C(C)O)C(=O)O)c1OC
InChIInChI=1S/C14H20O6/c1-8(15)9(2)20-13(14(16)17)10-6-5-7-11(18-3)12(10)19-4/h5-9,13,15H,1-4H3,(H,16,17)
InChIKeyNVSUYMLMUGMJFX-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.62
Rot. Bonds7

About 2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid

2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid (PubChem CID 103377839) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid
PubChem CID103377839
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid
SMILESCOc1cccc(C(OC(C)C(C)O)C(=O)O)c1OC
InChIInChI=1S/C14H20O6/c1-8(15)9(2)20-13(14(16)17)10-6-5-7-11(18-3)12(10)19-4/h5-9,13,15H,1-4H3,(H,16,17)
InChIKeyNVSUYMLMUGMJFX-UHFFFAOYSA-N
XLogP1.62
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154
2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid
CID 117352972
2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63704808
2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid
CID 103377760
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
1,1-bis(2,3-dimethoxyphenyl)propan-2-yl propanoate
CID 145114248
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65151048
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
4-amino-3-(2,3-dimethoxyphenyl)pentanoic acid
CID 66096873

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid (CID 103377839) is 2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid is COc1cccc(C(OC(C)C(C)O)C(=O)O)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid?
The InChIKey is NVSUYMLMUGMJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-8(15)9(2)20-13(14(16)17)10-6-5-7-11(18-3)12(10)19-4/h5-9,13,15H,1-4H3,(H,16,17).
What are the key properties of 2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid?
2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid has a molecular weight of 284.31 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid is sourced from PubChem (CID 103377839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).