2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid

C17H18O4 — CID 115462467

IUPAC2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid
SMILESCC(O)c1ccc(OCc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C17H18O4/c1-12(18)13-6-8-16(9-7-13)21-11-15-5-3-2-4-14(15)10-17(19)20/h2-9,12,18H,10-11H2,1H3,(H,19,20)
InChIKeyPZWYVXFSTLSJIE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.95
Rot. Bonds6

About 2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid

2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid (PubChem CID 115462467) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid
PubChem CID115462467
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid
SMILESCC(O)c1ccc(OCc2ccccc2CC(=O)O)cc1
InChIInChI=1S/C17H18O4/c1-12(18)13-6-8-16(9-7-13)21-11-15-5-3-2-4-14(15)10-17(19)20/h2-9,12,18H,10-11H2,1H3,(H,19,20)
InChIKeyPZWYVXFSTLSJIE-UHFFFAOYSA-N
XLogP2.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-[(2-methoxyphenyl)methoxy]phenyl]ethanol
CID 78930283
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid
CID 123243289
2-[2-[[6-(methylaminomethyl)-3-pyridinyl]oxymethyl]phenyl]acetic acid
CID 115461345
2-[4-(1-hydroxyethyl)phenyl]acetic acid
CID 71406306
2-[2-[(3,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 115460701
(1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol
CID 107349867
(3R)-3-[4-[(2-methylphenyl)methoxy]phenyl]-3-propan-2-yloxypropanoic acid
CID 124564524
2-[2-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 107722369
2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid
CID 115460803
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid (CID 115462467) is 2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid is CC(O)c1ccc(OCc2ccccc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid?
The InChIKey is PZWYVXFSTLSJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-12(18)13-6-8-16(9-7-13)21-11-15-5-3-2-4-14(15)10-17(19)20/h2-9,12,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid?
2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(1-hydroxyethyl)phenoxy]methyl]phenyl]acetic acid is sourced from PubChem (CID 115462467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).