2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid

C14H20O3 — CID 117054311

IUPAC2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid
SMILESCC(Oc1ccccc1CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H20O3/c1-10(14(2,3)4)17-12-8-6-5-7-11(12)9-13(15)16/h5-8,10H,9H2,1-4H3,(H,15,16)
InChIKeyHUYBNHPCTIHZRO-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.13
Rot. Bonds4

About 2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid

2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid (PubChem CID 117054311) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid
PubChem CID117054311
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid
SMILESCC(Oc1ccccc1CC(=O)O)C(C)(C)C
InChIInChI=1S/C14H20O3/c1-10(14(2,3)4)17-12-8-6-5-7-11(12)9-13(15)16/h5-8,10H,9H2,1-4H3,(H,15,16)
InChIKeyHUYBNHPCTIHZRO-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 80741308
2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 80741605
2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid
CID 80741080
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid
CID 117094856
2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119218421
(3S)-3-[2-(2-hydroxyethyl)phenoxy]butanoic acid
CID 107711645
2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 80722346
2-[2-(4-methylpentoxy)phenyl]acetic acid
CID 83153029
ethyl 2-(2-butan-2-yloxyphenyl)acetate
CID 152870971
2-[2-(2-methylpentoxy)phenyl]acetic acid
CID 80740774
2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119225488

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid?
The IUPAC name of 2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid (CID 117054311) is 2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid?
The canonical SMILES for 2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid is CC(Oc1ccccc1CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid?
The InChIKey is HUYBNHPCTIHZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(14(2,3)4)17-12-8-6-5-7-11(12)9-13(15)16/h5-8,10H,9H2,1-4H3,(H,15,16).
What are the key properties of 2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid?
2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid has a molecular weight of 236.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid is sourced from PubChem (CID 117054311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).