4-(oxan-2-yloxy)benzoic acid

C12H14O4 — CID 11183645

IUPAC4-(oxan-2-yloxy)benzoic acid
SMILESO=C(O)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C12H14O4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11H,1-3,8H2,(H,13,14)
InChIKeyGIDLWOPUFGMILA-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.29
Rot. Bonds3

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

4-(oxan-2-yloxy)benzoic acid (PubChem CID 11183645) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-(oxan-2-yloxy)benzoic acid.

Molecular Properties

Compound Name4-(oxan-2-yloxy)benzoic acid
PubChem CID11183645
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name4-(oxan-2-yloxy)benzoic acid
SMILESO=C(O)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C12H14O4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11H,1-3,8H2,(H,13,14)
InChIKeyGIDLWOPUFGMILA-UHFFFAOYSA-N
XLogP2.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 157467206
4-(oxan-2-yloxy)phenol
CID 11745519
2-hydroxy-4-(oxan-2-yloxy)benzoic acid
CID 129079966
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
methane;methyl 6-(oxan-2-yloxy)naphthalene-2-carboxylate;6-(oxan-2-yloxy)naphthalene-2-carboxylic acid
CID 162250703
[4-(oxan-2-yloxy)phenyl]-diphenylsilane
CID 174039568
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
CID 168763543
CID 168763543
ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate
CID 24722283
CID 143834486
CID 143834486
[4-[(2R)-oxan-2-yl]oxyphenyl]boronic acid
CID 99738228

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yloxy)benzoic acid?
The IUPAC name of 4-(oxan-2-yloxy)benzoic acid (CID 11183645) is 4-(oxan-2-yloxy)benzoic acid.
What is the SMILES notation for 4-(oxan-2-yloxy)benzoic acid?
The canonical SMILES for 4-(oxan-2-yloxy)benzoic acid is O=C(O)c1ccc(OC2CCCCO2)cc1.
What is the InChIKey of 4-(oxan-2-yloxy)benzoic acid?
The InChIKey is GIDLWOPUFGMILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11H,1-3,8H2,(H,13,14).
What are the key properties of 4-(oxan-2-yloxy)benzoic acid?
4-(oxan-2-yloxy)benzoic acid has a molecular weight of 222.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yloxy)benzoic acid is sourced from PubChem (CID 11183645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).