2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid

C14H18O6 — CID 67779992

IUPAC2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid
SMILESCC(Oc1ccc(C(O)C(=O)O)cc1)OC1CCCO1
InChIInChI=1S/C14H18O6/c1-9(20-12-3-2-8-18-12)19-11-6-4-10(5-7-11)13(15)14(16)17/h4-7,9,12-13,15H,2-3,8H2,1H3,(H,16,17)
InChIKeyJFCNBPRSRDLPEL-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.68
Rot. Bonds6

About 2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid

2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid (PubChem CID 67779992) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid
PubChem CID67779992
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid
SMILESCC(Oc1ccc(C(O)C(=O)O)cc1)OC1CCCO1
InChIInChI=1S/C14H18O6/c1-9(20-12-3-2-8-18-12)19-11-6-4-10(5-7-11)13(15)14(16)17/h4-7,9,12-13,15H,2-3,8H2,1H3,(H,16,17)
InChIKeyJFCNBPRSRDLPEL-UHFFFAOYSA-N
XLogP1.68
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]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-(oxan-2-yloxy)propanoic acid
CID 542280
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
4-(oxan-2-yloxy)benzoic acid
CID 11183645
(2R)-2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetic acid
CID 86327385
methyl 4-bromo-2-methyl-3-[1-(oxan-2-yloxy)ethoxy]benzoate
CID 90411718
oxan-2-yl-(4-propan-2-yloxyphenyl)methanol
CID 62215174
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
1-[4-(oxan-2-yloxy)phenyl]ethanamine
CID 160804059
(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 1301403
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-[2-[2-[(2R)-oxan-2-yl]oxyethoxy]ethoxy]phenyl]acetic acid
CID 68619436
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate
CID 10640542

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid (CID 67779992) is 2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid is CC(Oc1ccc(C(O)C(=O)O)cc1)OC1CCCO1.
What is the InChIKey of 2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid?
The InChIKey is JFCNBPRSRDLPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-9(20-12-3-2-8-18-12)19-11-6-4-10(5-7-11)13(15)14(16)17/h4-7,9,12-13,15H,2-3,8H2,1H3,(H,16,17).
What are the key properties of 2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid?
2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid has a molecular weight of 282.29 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[4-[1-(oxolan-2-yloxy)ethoxy]phenyl]acetic acid is sourced from PubChem (CID 67779992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).