2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid

C10H12O6 — CID 117328303

IUPAC2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
SMILESCOc1ccc(C(O)C(=O)O)c(O)c1OC
InChIInChI=1S/C10H12O6/c1-15-6-4-3-5(8(12)10(13)14)7(11)9(6)16-2/h3-4,8,11-12H,1-2H3,(H,13,14)
InChIKeyZWYUADJDSVPHGK-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.53
Rot. Bonds4

About 2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid

2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid (PubChem CID 117328303) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is 2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
PubChem CID117328303
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
SMILESCOc1ccc(C(O)C(=O)O)c(O)c1OC
InChIInChI=1S/C10H12O6/c1-15-6-4-3-5(8(12)10(13)14)7(11)9(6)16-2/h3-4,8,11-12H,1-2H3,(H,13,14)
InChIKeyZWYUADJDSVPHGK-UHFFFAOYSA-N
XLogP0.53
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117443520
(2S)-2-amino-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 66513090
2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428843
2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117331953
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
CID 117303009
2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352963
2-hydroxy-2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
CID 117344707
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol
CID 66516816
2-(2-hydroxy-4-methoxy-3-sulfooxyphenyl)propanoic acid
CID 131837699
2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid
CID 117352972

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid (CID 117328303) is 2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid is COc1ccc(C(O)C(=O)O)c(O)c1OC.
What is the InChIKey of 2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid?
The InChIKey is ZWYUADJDSVPHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-15-6-4-3-5(8(12)10(13)14)7(11)9(6)16-2/h3-4,8,11-12H,1-2H3,(H,13,14).
What are the key properties of 2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid?
2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid has a molecular weight of 228.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 117328303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).