2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid

C13H18O3 — CID 82267526

IUPAC2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid
SMILESCc1cc(C)c(OC(C)C)c(CC(=O)O)c1
InChIInChI=1S/C13H18O3/c1-8(2)16-13-10(4)5-9(3)6-11(13)7-12(14)15/h5-6,8H,7H2,1-4H3,(H,14,15)
InChIKeyMQNYESKBQVSEFD-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.72
Rot. Bonds4

About 2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid

2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid (PubChem CID 82267526) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid
PubChem CID82267526
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid
SMILESCc1cc(C)c(OC(C)C)c(CC(=O)O)c1
InChIInChI=1S/C13H18O3/c1-8(2)16-13-10(4)5-9(3)6-11(13)7-12(14)15/h5-6,8H,7H2,1-4H3,(H,14,15)
InChIKeyMQNYESKBQVSEFD-UHFFFAOYSA-N
XLogP2.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene
CID 142216481
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid
CID 82266792
2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82264574
2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid
CID 171005263
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
N-ethyl-3,5-dimethyl-2-propan-2-yloxyaniline
CID 82267547
2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
CID 82494584
(4-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43161494
1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
CID 82267544
2-(2,4-dimethylphenyl)-N-[(Z)-1-(3,5-dimethyl-4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 92658035
3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid
CID 82053234

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid?
The IUPAC name of 2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid (CID 82267526) is 2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid?
The canonical SMILES for 2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid is Cc1cc(C)c(OC(C)C)c(CC(=O)O)c1.
What is the InChIKey of 2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid?
The InChIKey is MQNYESKBQVSEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-8(2)16-13-10(4)5-9(3)6-11(13)7-12(14)15/h5-6,8H,7H2,1-4H3,(H,14,15).
What are the key properties of 2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid?
2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid has a molecular weight of 222.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-propan-2-yloxyphenyl)acetic acid is sourced from PubChem (CID 82267526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).