2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid

C12H16O3 — CID 84676017

IUPAC2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid
SMILESCc1ccc(C(C)C)c(CC(=O)O)c1O
InChIInChI=1S/C12H16O3/c1-7(2)9-5-4-8(3)12(15)10(9)6-11(13)14/h4-5,7,15H,6H2,1-3H3,(H,13,14)
InChIKeyNOLFWMDLEPRMGL-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.45
Rot. Bonds3

About 2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid

2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid (PubChem CID 84676017) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid
PubChem CID84676017
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid
SMILESCc1ccc(C(C)C)c(CC(=O)O)c1O
InChIInChI=1S/C12H16O3/c1-7(2)9-5-4-8(3)12(15)10(9)6-11(13)14/h4-5,7,15H,6H2,1-3H3,(H,13,14)
InChIKeyNOLFWMDLEPRMGL-UHFFFAOYSA-N
XLogP2.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 84687629
2-amino-3-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 84700094
1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one
CID 84674442
2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid
CID 137443462
2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid
CID 137459361
3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 84699462
2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol
CID 117299228
3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117379506
2-ethyl-3-methyl-6-propan-2-ylphenol
CID 141031385
2-[2-methyl-6-[2-[2,3,4-tri(propan-2-yl)phenyl]ethyl]phenyl]acetic acid
CID 175156186
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol
CID 175998451

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid?
The IUPAC name of 2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid (CID 84676017) is 2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid.
What is the SMILES notation for 2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid?
The canonical SMILES for 2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid is Cc1ccc(C(C)C)c(CC(=O)O)c1O.
What is the InChIKey of 2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid?
The InChIKey is NOLFWMDLEPRMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-7(2)9-5-4-8(3)12(15)10(9)6-11(13)14/h4-5,7,15H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid?
2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid is sourced from PubChem (CID 84676017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).