3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid

C15H22O4 — CID 117419971

IUPAC3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid
SMILESCOc1cccc(C(C)(C)CC(=O)O)c1OC(C)C
InChIInChI=1S/C15H22O4/c1-10(2)19-14-11(7-6-8-12(14)18-5)15(3,4)9-13(16)17/h6-8,10H,9H2,1-5H3,(H,16,17)
InChIKeyZXTHWNUXGJAEJD-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.23
Rot. Bonds6

About 3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid

3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid (PubChem CID 117419971) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid
PubChem CID117419971
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid
SMILESCOc1cccc(C(C)(C)CC(=O)O)c1OC(C)C
InChIInChI=1S/C15H22O4/c1-10(2)19-14-11(7-6-8-12(14)18-5)15(3,4)9-13(16)17/h6-8,10H,9H2,1-5H3,(H,16,17)
InChIKeyZXTHWNUXGJAEJD-UHFFFAOYSA-N
XLogP3.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-6-methoxyphenyl)-3-methylbutanoic acid
CID 117325215
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311
2-[1-(3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]acetic acid
CID 117415115
3-[2-(1-methoxyethyl)phenyl]-3-methylbutanoic acid
CID 115112920
2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid
CID 117352972
3-(2-ethoxyphenyl)-3-methylbutanoic acid
CID 81003890
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-3-methylbutanoic acid
CID 117389154
3-(5-iodo-2-methoxyphenyl)-3-methylbutanoic acid
CID 79830010
3-amino-3-(2-methoxy-6-propan-2-yloxyphenyl)propanoic acid
CID 117385813
3-(2-hydroxy-3-methoxy-6-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117419964
4-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]benzoic acid
CID 120509415
2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid
CID 54846837

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid?
The IUPAC name of 3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid (CID 117419971) is 3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid?
The canonical SMILES for 3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid is COc1cccc(C(C)(C)CC(=O)O)c1OC(C)C.
What is the InChIKey of 3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid?
The InChIKey is ZXTHWNUXGJAEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-10(2)19-14-11(7-6-8-12(14)18-5)15(3,4)9-13(16)17/h6-8,10H,9H2,1-5H3,(H,16,17).
What are the key properties of 3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid?
3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-propan-2-yloxyphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 117419971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).