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

C9H10O4 — CID 57154315

IUPAC(2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid
SMILESCc1ccc([C@@H](O)C(=O)O)cc1O
InChIInChI=1S/C9H10O4/c1-5-2-3-6(4-7(5)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m1/s1
InChIKeyDPDPSNNSDWQZBG-MRVPVSSYSA-N
MW182.17 g/mol
LogP0.82
Rot. Bonds2

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

(2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid (PubChem CID 57154315) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid
PubChem CID57154315
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name(2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid
SMILESCc1ccc([C@@H](O)C(=O)O)cc1O
InChIInChI=1S/C9H10O4/c1-5-2-3-6(4-7(5)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m1/s1
InChIKeyDPDPSNNSDWQZBG-MRVPVSSYSA-N
XLogP0.82
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(difluoromethyl)-4-methylphenyl]-2-hydroxyacetic acid
CID 117307670
2-(3-hydroxy-4-methylphenyl)but-3-enoic acid
CID 163576235
propyl 2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetate
CID 22283713
2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid;2-hydroxyacetic acid
CID 160845823
(2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid
CID 131420861
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid
CID 117302661
2-hydroxy-2-(3,4,5-trihydroxyphenyl)acetic acid
CID 45092881
CID 70480259
CID 70480259
2-[3-(3-bromopropanoyl)-4-methylphenyl]-2-hydroxyacetic acid
CID 135741178
(2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid
CID 57182307
5-(1-hydroxypropyl)-2-methylphenol
CID 88978695

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid?
The IUPAC name of (2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid (CID 57154315) is (2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid is Cc1ccc([C@@H](O)C(=O)O)cc1O.
What is the InChIKey of (2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid?
The InChIKey is DPDPSNNSDWQZBG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10O4/c1-5-2-3-6(4-7(5)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-(3-hydroxy-4-methylphenyl)acetic acid?
(2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid has a molecular weight of 182.17 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid is sourced from PubChem (CID 57154315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).