2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid

C14H20O3 — CID 115460803

IUPAC2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid
SMILESCC(C)C(C)OCc1ccccc1CC(=O)O
InChIInChI=1S/C14H20O3/c1-10(2)11(3)17-9-13-7-5-4-6-12(13)8-14(15)16/h4-7,10-11H,8-9H2,1-3H3,(H,15,16)
InChIKeyWLOPQLNKOACPQI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.87
Rot. Bonds6

About 2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid

2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid (PubChem CID 115460803) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid
PubChem CID115460803
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid
SMILESCC(C)C(C)OCc1ccccc1CC(=O)O
InChIInChI=1S/C14H20O3/c1-10(2)11(3)17-9-13-7-5-4-6-12(13)8-14(15)16/h4-7,10-11H,8-9H2,1-3H3,(H,15,16)
InChIKeyWLOPQLNKOACPQI-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-hydroxy-3-(propan-2-yloxymethyl)phenyl]acetic acid
CID 83891571
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
2-[2-(chlorooxymethyl)phenyl]acetic acid
CID 174719829
CID 172781038
CID 172781038
CID 172781001
CID 172781001
3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one
CID 116692176
2-[2-(2-hydroxypropyl)phenyl]acetic acid
CID 117111520
2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid
CID 115462467
2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid
CID 115461339
2-[2-(3-methylbutan-2-ylsulfanylmethyl)phenyl]acetic acid
CID 107746260
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
2-[2-(2-methylbutan-2-yloxymethyl)phenyl]acetic acid
CID 115460664

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid (CID 115460803) is 2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid is CC(C)C(C)OCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid?
The InChIKey is WLOPQLNKOACPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(2)11(3)17-9-13-7-5-4-6-12(13)8-14(15)16/h4-7,10-11H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid?
2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid has a molecular weight of 236.31 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid is sourced from PubChem (CID 115460803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).