(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid

C9H10O5 — CID 736173

IUPAC(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOc1cc([C@@H](O)C(=O)O)ccc1O
InChIInChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m1/s1
InChIKeyCGQCWMIAEPEHNQ-MRVPVSSYSA-N
MW198.17 g/mol
LogP0.52
Rot. Bonds3

About (2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid

(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid (PubChem CID 736173) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
PubChem CID736173
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOc1cc([C@@H](O)C(=O)O)ccc1O
InChIInChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m1/s1
InChIKeyCGQCWMIAEPEHNQ-MRVPVSSYSA-N
XLogP0.52
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22339410
methyl 2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enoate
CID 11207139
propyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
CID 54017082
2-hydroxy-2-(3-methoxy-4-nitrophenyl)acetic acid
CID 134655858
N-(2-aminoethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide;hydrochloride
CID 170901975
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 67997136
5-[carboxy(hydroxy)methyl]-2-hydroxy-3-methoxybenzoic acid
CID 117356941
3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid
CID 118450223
(2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid
CID 57154315
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
CID 53442983
2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid
CID 117302661

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid?
The IUPAC name of (2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid (CID 736173) is (2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid is COc1cc([C@@H](O)C(=O)O)ccc1O.
What is the InChIKey of (2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid?
The InChIKey is CGQCWMIAEPEHNQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid?
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid has a molecular weight of 198.17 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 736173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).