2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid

C12H16O3 — CID 82264574

IUPAC2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid
SMILESCc1cc(OC(C)C)ccc1CC(=O)O
InChIInChI=1S/C12H16O3/c1-8(2)15-11-5-4-10(7-12(13)14)9(3)6-11/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyDFWJCZXEEHNHRA-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.41
Rot. Bonds4

About 2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid

2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid (PubChem CID 82264574) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid
PubChem CID82264574
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid
SMILESCc1cc(OC(C)C)ccc1CC(=O)O
InChIInChI=1S/C12H16O3/c1-8(2)15-11-5-4-10(7-12(13)14)9(3)6-11/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyDFWJCZXEEHNHRA-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(ethoxymethyl)-2-methyl-4-propan-2-yloxybenzene
CID 129189938
6-(2-methyl-4-propan-2-yloxyanilino)-6-oxohexanoic acid
CID 60933731
5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 60933969
3-methyl-5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 62966092
bis(4-ethyl-3-methylphenyl) carbonate
CID 89437335
2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid
CID 82267526
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
[2,4-di(propan-2-yloxy)phenyl]methanol
CID 12071268
2-[4-(4-methoxyphenyl)sulfanyl-2-methylphenyl]acetic acid
CID 91878952
[3-methyl-4-(2-methylpropyl)phenyl] propanoate
CID 151861053
3-[4-(carboxymethyl)-3-methylphenyl]-2-methylpropanoic acid
CID 171338440
(4-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43161494

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid?
The IUPAC name of 2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid (CID 82264574) is 2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid?
The canonical SMILES for 2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid is Cc1cc(OC(C)C)ccc1CC(=O)O.
What is the InChIKey of 2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid?
The InChIKey is DFWJCZXEEHNHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(2)15-11-5-4-10(7-12(13)14)9(3)6-11/h4-6,8H,7H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid?
2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid is sourced from PubChem (CID 82264574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).