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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Related Compounds

3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol
CID 2831231
3-ethyl-2H-1,4-benzodioxin-3-ol
CID 13487110
2-(3-methyl-2H-1,4-benzodioxin-3-yl)ethyl 4-methylbenzenesulfonate
CID 14822828
3,3-difluoro-2H-1,4-benzodioxine
CID 58599177
2H-1,4-benzodioxine-3,3-dicarboxylic acid
CID 70342696
4-(4-prop-1-en-2-ylphenyl)-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-ol
CID 10813916
2-methyl-2-(4-methylphenyl)-3-phenyl-1,3-benzoxazole
CID 177468889
2,2-bis(4-methylphenyl)oxirane
CID 12692604
2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol
CID 174539962
3-(3-ethenyl-2H-1,4-benzodioxin-3-yl)pentane-2,4-dione
CID 86217763
2-hydroxy-3-methyl-2-(4-methylphenyl)-3H-chromen-4-one
CID 57131800
2,2'-spirobi[1,3-benzodioxole]
CID 10977219

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).