2-hydroxy-4-(oxan-2-yloxy)benzoic acid

C12H14O5 — CID 129079966

IUPAC2-hydroxy-4-(oxan-2-yloxy)benzoic acid
SMILESO=C(O)c1ccc(OC2CCCCO2)cc1O
InChIInChI=1S/C12H14O5/c13-10-7-8(4-5-9(10)12(14)15)17-11-3-1-2-6-16-11/h4-5,7,11,13H,1-3,6H2,(H,14,15)
InChIKeyYMGRJFGTOVDOHX-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.00
Rot. Bonds3

About 2-hydroxy-4-(oxan-2-yloxy)benzoic acid

2-hydroxy-4-(oxan-2-yloxy)benzoic acid (PubChem CID 129079966) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-hydroxy-4-(oxan-2-yloxy)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(oxan-2-yloxy)benzoic acid
PubChem CID129079966
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name2-hydroxy-4-(oxan-2-yloxy)benzoic acid
SMILESO=C(O)c1ccc(OC2CCCCO2)cc1O
InChIInChI=1S/C12H14O5/c13-10-7-8(4-5-9(10)12(14)15)17-11-3-1-2-6-16-11/h4-5,7,11,13H,1-3,6H2,(H,14,15)
InChIKeyYMGRJFGTOVDOHX-UHFFFAOYSA-N
XLogP2.00
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide
CID 129079902
4-(oxan-2-yloxy)benzoic acid
CID 11183645
4-(oxan-2-yloxy)phenol
CID 11745519
(E)-1-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 10808037
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207
methane;methyl 6-(oxan-2-yloxy)naphthalene-2-carboxylate;6-(oxan-2-yloxy)naphthalene-2-carboxylic acid
CID 162250703
methyl 2-fluoro-4-(oxan-2-yloxy)benzoate
CID 167443714
2-tert-butyl-4-(oxan-2-yloxy)phenol
CID 12842791
1-[2-(4-methylpiperazin-1-yl)-4-[(2R)-oxan-2-yl]oxyphenyl]ethanone
CID 129391965
1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone
CID 59058209
2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde
CID 87795806
(E)-1-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-3-[3-(3-methylbut-2-enyl)-4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 11547723

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(oxan-2-yloxy)benzoic acid?
The IUPAC name of 2-hydroxy-4-(oxan-2-yloxy)benzoic acid (CID 129079966) is 2-hydroxy-4-(oxan-2-yloxy)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(oxan-2-yloxy)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(oxan-2-yloxy)benzoic acid is O=C(O)c1ccc(OC2CCCCO2)cc1O.
What is the InChIKey of 2-hydroxy-4-(oxan-2-yloxy)benzoic acid?
The InChIKey is YMGRJFGTOVDOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c13-10-7-8(4-5-9(10)12(14)15)17-11-3-1-2-6-16-11/h4-5,7,11,13H,1-3,6H2,(H,14,15).
What are the key properties of 2-hydroxy-4-(oxan-2-yloxy)benzoic acid?
2-hydroxy-4-(oxan-2-yloxy)benzoic acid has a molecular weight of 238.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(oxan-2-yloxy)benzoic acid is sourced from PubChem (CID 129079966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).