2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid

C14H20O4 — CID 170705356

IUPAC2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid
SMILESCC(CCO)CCOc1cccc(CC(=O)O)c1
InChIInChI=1S/C14H20O4/c1-11(5-7-15)6-8-18-13-4-2-3-12(9-13)10-14(16)17/h2-4,9,11,15H,5-8,10H2,1H3,(H,16,17)
InChIKeyJIEXWXOOANTMIZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.10
Rot. Bonds8

About 2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid

2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid (PubChem CID 170705356) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid
PubChem CID170705356
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid
SMILESCC(CCO)CCOc1cccc(CC(=O)O)c1
InChIInChI=1S/C14H20O4/c1-11(5-7-15)6-8-18-13-4-2-3-12(9-13)10-14(16)17/h2-4,9,11,15H,5-8,10H2,1H3,(H,16,17)
InChIKeyJIEXWXOOANTMIZ-UHFFFAOYSA-N
XLogP2.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-octoxyphenyl)acetic acid
CID 11975056
2-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927
2-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]acetic acid
CID 61398226
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
2-[3-(ethoxymethoxy)phenyl]acetic acid
CID 65364927
methyl 2-[3-(2-hydroxyethoxy)phenyl]acetate
CID 134821202
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
CID 84690473
2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid
CID 164513589
2-[3-[2-[methyl(2-oxoethyl)amino]ethoxy]phenyl]acetic acid
CID 143428588

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid?
The IUPAC name of 2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid (CID 170705356) is 2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid is CC(CCO)CCOc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid?
The InChIKey is JIEXWXOOANTMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-11(5-7-15)6-8-18-13-4-2-3-12(9-13)10-14(16)17/h2-4,9,11,15H,5-8,10H2,1H3,(H,16,17).
What are the key properties of 2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid?
2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid has a molecular weight of 252.31 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-hydroxy-3-methylpentoxy)phenyl]acetic acid is sourced from PubChem (CID 170705356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).