2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

C19H22O6 — CID 19106280

IUPAC2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCC(C)Oc1cc2ccc1o2.CCCOc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C10H12O4.C9H10O2/c1-2-5-14-7-3-4-8(10(12)13)9(11)6-7;1-6(2)10-9-5-7-3-4-8(9)11-7/h3-4,6,11H,2,5H2,1H3,(H,12,13);3-6H,1-2H3
InChIKeyAZDBXALOLDUTAY-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.54
Rot. Bonds6

About 2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (PubChem CID 19106280) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.

Molecular Properties

Compound Name2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
PubChem CID19106280
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCC(C)Oc1cc2ccc1o2.CCCOc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C10H12O4.C9H10O2/c1-2-5-14-7-3-4-8(10(12)13)9(11)6-7;1-6(2)10-9-5-7-3-4-8(9)11-7/h3-4,6,11H,2,5H2,1H3,(H,12,13);3-6H,1-2H3
InChIKeyAZDBXALOLDUTAY-UHFFFAOYSA-N
XLogP4.54
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene with MolForge

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Related Compounds

2-hydroxy-5-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 19106077
bis(4-butoxy-2-hydroxyphenyl)methanone;bis(2-hydroxy-4-propan-2-yloxyphenyl)methanone
CID 162086592
(2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone
CID 135325809
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
4-ethoxy-2-hydroxybenzoic acid;2-(2-phenylethyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 19106290
2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid
CID 19857055
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358
4-(2-aminoethoxy)-2-hydroxybenzoic acid
CID 18506511
2-[3-(dimethylamino)propoxy]-4-propoxybenzoic acid
CID 114525459
4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc
CID 88663945
2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid
CID 67375658

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The IUPAC name of 2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (CID 19106280) is 2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.
What is the SMILES notation for 2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The canonical SMILES for 2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is CC(C)Oc1cc2ccc1o2.CCCOc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The InChIKey is AZDBXALOLDUTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4.C9H10O2/c1-2-5-14-7-3-4-8(10(12)13)9(11)6-7;1-6(2)10-9-5-7-3-4-8(9)11-7/h3-4,6,11H,2,5H2,1H3,(H,12,13);3-6H,1-2H3.
What are the key properties of 2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene has a molecular weight of 346.38 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-propoxybenzoic acid;2-propan-2-yloxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is sourced from PubChem (CID 19106280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).