4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid

C16H24O3 — CID 62214691

IUPAC4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid
SMILESCCC(C)(C)c1ccc(OC(C)CCC(=O)O)cc1
InChIInChI=1S/C16H24O3/c1-5-16(3,4)13-7-9-14(10-8-13)19-12(2)6-11-15(17)18/h7-10,12H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyJLAHQXVPLJHSIZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.01
Rot. Bonds7

About 4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid

4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid (PubChem CID 62214691) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid.

Molecular Properties

Compound Name4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid
PubChem CID62214691
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid
SMILESCCC(C)(C)c1ccc(OC(C)CCC(=O)O)cc1
InChIInChI=1S/C16H24O3/c1-5-16(3,4)13-7-9-14(10-8-13)19-12(2)6-11-15(17)18/h7-10,12H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyJLAHQXVPLJHSIZ-UHFFFAOYSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenoxy)pentanoic acid
CID 62214144
2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol
CID 64802073
3-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]butanehydrazide
CID 63575995
4-hexan-2-yloxybenzoic acid
CID 19593666
1-(2-methylbutan-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethoxy]benzene;molecular hydrogen
CID 158994420
3-[4-(2-methylbutan-2-yl)phenoxy]butanimidamide
CID 114997399
4-(4-bromo-3,5-dimethylphenoxy)pentanoic acid
CID 107722381
6-(4-heptylphenoxy)heptanoic acid
CID 22902780
N-(2-methoxyethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 62571520
2-[4-[(2R)-pentan-2-yl]oxyphenyl]acetic acid
CID 124632287
4-(3-chloro-4-cyanophenoxy)pentanoic acid
CID 102723946
4-(3-acetylphenoxy)pentanoic acid
CID 62213253

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid?
The IUPAC name of 4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid (CID 62214691) is 4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid.
What is the SMILES notation for 4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid?
The canonical SMILES for 4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid is CCC(C)(C)c1ccc(OC(C)CCC(=O)O)cc1.
What is the InChIKey of 4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid?
The InChIKey is JLAHQXVPLJHSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-16(3,4)13-7-9-14(10-8-13)19-12(2)6-11-15(17)18/h7-10,12H,5-6,11H2,1-4H3,(H,17,18).
What are the key properties of 4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid?
4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid has a molecular weight of 264.37 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylbutan-2-yl)phenoxy]pentanoic acid is sourced from PubChem (CID 62214691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).