2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol

C17H18O3 — CID 105091733

IUPAC2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2cccc3c2OCCO3)cc1C
InChIInChI=1S/C17H18O3/c1-11-6-7-13(10-12(11)2)16(18)14-4-3-5-15-17(14)20-9-8-19-15/h3-7,10,16,18H,8-9H2,1-2H3
InChIKeyOXPNVMRLGSNEQZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.16
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol

2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol (PubChem CID 105091733) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol
PubChem CID105091733
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2cccc3c2OCCO3)cc1C
InChIInChI=1S/C17H18O3/c1-11-6-7-13(10-12(11)2)16(18)14-4-3-5-15-17(14)20-9-8-19-15/h3-7,10,16,18H,8-9H2,1-2H3
InChIKeyOXPNVMRLGSNEQZ-UHFFFAOYSA-N
XLogP3.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 105125287
(3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 105093322
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538966
3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol
CID 115837852
(3,4-dimethylphenyl)-(2-iodophenyl)methanol
CID 61101353
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-methylphenyl)ethanol
CID 63016038
2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102649829
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377270
(4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744817
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-4-methylphenyl)methanol
CID 63195028
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol
CID 105111843
(2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol
CID 107469517

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol (CID 105091733) is 2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol is Cc1ccc(C(O)c2cccc3c2OCCO3)cc1C.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol?
The InChIKey is OXPNVMRLGSNEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11-6-7-13(10-12(11)2)16(18)14-4-3-5-15-17(14)20-9-8-19-15/h3-7,10,16,18H,8-9H2,1-2H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol?
2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol has a molecular weight of 270.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol is sourced from PubChem (CID 105091733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).