(6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol

C12H16O3 — CID 90380232

IUPAC(6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
SMILESCc1c(C)c(CO)c2c(c1C)OCCO2
InChIInChI=1S/C12H16O3/c1-7-8(2)10(6-13)12-11(9(7)3)14-4-5-15-12/h13H,4-6H2,1-3H3
InChIKeyATDVQKSQGVIKBV-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.88
Rot. Bonds1

About (6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol

(6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol (PubChem CID 90380232) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol.

Molecular Properties

Compound Name(6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
PubChem CID90380232
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
SMILESCc1c(C)c(CO)c2c(c1C)OCCO2
InChIInChI=1S/C12H16O3/c1-7-8(2)10(6-13)12-11(9(7)3)14-4-5-15-12/h13H,4-6H2,1-3H3
InChIKeyATDVQKSQGVIKBV-UHFFFAOYSA-N
XLogP1.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
The IUPAC name of (6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol (CID 90380232) is (6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol.
What is the SMILES notation for (6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
The canonical SMILES for (6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol is Cc1c(C)c(CO)c2c(c1C)OCCO2.
What is the InChIKey of (6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
The InChIKey is ATDVQKSQGVIKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-7-8(2)10(6-13)12-11(9(7)3)14-4-5-15-12/h13H,4-6H2,1-3H3.
What are the key properties of (6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
(6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol has a molecular weight of 208.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol is sourced from PubChem (CID 90380232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).