3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol

C15H14O3 — CID 10633909

IUPAC3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol
SMILESCc1ccc(C2(O)COc3ccccc3O2)cc1
InChIInChI=1S/C15H14O3/c1-11-6-8-12(9-7-11)15(16)10-17-13-4-2-3-5-14(13)18-15/h2-9,16H,10H2,1H3
InChIKeyGSEUEJPVWQNFML-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.61
Rot. Bonds1

About 3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol

3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol (PubChem CID 10633909) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol.

Molecular Properties

Compound Name3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol
PubChem CID10633909
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol
SMILESCc1ccc(C2(O)COc3ccccc3O2)cc1
InChIInChI=1S/C15H14O3/c1-11-6-8-12(9-7-11)15(16)10-17-13-4-2-3-5-14(13)18-15/h2-9,16H,10H2,1H3
InChIKeyGSEUEJPVWQNFML-UHFFFAOYSA-N
XLogP2.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol?
The IUPAC name of 3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol (CID 10633909) is 3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol.
What is the SMILES notation for 3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol?
The canonical SMILES for 3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol is Cc1ccc(C2(O)COc3ccccc3O2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol?
The InChIKey is GSEUEJPVWQNFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-11-6-8-12(9-7-11)15(16)10-17-13-4-2-3-5-14(13)18-15/h2-9,16H,10H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol?
3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol has a molecular weight of 242.27 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2H-1,4-benzodioxin-3-ol is sourced from PubChem (CID 10633909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).