2-(4-methoxy-2-propan-2-ylphenyl)acetic acid

C12H16O3 — CID 82054161

IUPAC2-(4-methoxy-2-propan-2-ylphenyl)acetic acid
SMILESCOc1ccc(CC(=O)O)c(C(C)C)c1
InChIInChI=1S/C12H16O3/c1-8(2)11-7-10(15-3)5-4-9(11)6-12(13)14/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyMFWCSVNAIWGDME-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.45
Rot. Bonds4

About 2-(4-methoxy-2-propan-2-ylphenyl)acetic acid

2-(4-methoxy-2-propan-2-ylphenyl)acetic acid (PubChem CID 82054161) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-methoxy-2-propan-2-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-2-propan-2-ylphenyl)acetic acid
PubChem CID82054161
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(4-methoxy-2-propan-2-ylphenyl)acetic acid
SMILESCOc1ccc(CC(=O)O)c(C(C)C)c1
InChIInChI=1S/C12H16O3/c1-8(2)11-7-10(15-3)5-4-9(11)6-12(13)14/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyMFWCSVNAIWGDME-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid
CID 82054166
bis(4-methoxy-2-propan-2-ylphenyl)methanone
CID 139968368
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid
CID 139576547
2-[2-(3-chloro-2-oxopropyl)-5-methoxyphenyl]-2-hydroxyacetic acid
CID 134657665
2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 112514494
3-[2-[carboxy(hydroxy)methyl]-5-methoxyphenyl]propanoic acid
CID 118813661
1-[5-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117286314
2-(2-chloro-4-methoxyphenyl)-3-methylbutanoic acid
CID 82293515
4-methoxy-2-propan-2-ylbenzenethiol
CID 130435899
1-ethenyl-4-methoxy-2-propan-2-ylbenzene
CID 22712642
2-[2-(3-hydroxyprop-1-ynyl)-4-methoxyphenyl]acetic acid
CID 169485688

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-propan-2-ylphenyl)acetic acid?
The IUPAC name of 2-(4-methoxy-2-propan-2-ylphenyl)acetic acid (CID 82054161) is 2-(4-methoxy-2-propan-2-ylphenyl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-2-propan-2-ylphenyl)acetic acid?
The canonical SMILES for 2-(4-methoxy-2-propan-2-ylphenyl)acetic acid is COc1ccc(CC(=O)O)c(C(C)C)c1.
What is the InChIKey of 2-(4-methoxy-2-propan-2-ylphenyl)acetic acid?
The InChIKey is MFWCSVNAIWGDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(2)11-7-10(15-3)5-4-9(11)6-12(13)14/h4-5,7-8H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-methoxy-2-propan-2-ylphenyl)acetic acid?
2-(4-methoxy-2-propan-2-ylphenyl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-propan-2-ylphenyl)acetic acid is sourced from PubChem (CID 82054161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).