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

C11H14O3 — CID 117284629

IUPAC(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
SMILESCc1cc(CO)c2c(c1C)OCCO2
InChIInChI=1S/C11H14O3/c1-7-5-9(6-12)11-10(8(7)2)13-3-4-14-11/h5,12H,3-4,6H2,1-2H3
InChIKeySDYSCPJINKUBOW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.57
Rot. Bonds1

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

(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol (PubChem CID 117284629) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol.

Molecular Properties

Compound Name(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
PubChem CID117284629
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
SMILESCc1cc(CO)c2c(c1C)OCCO2
InChIInChI=1S/C11H14O3/c1-7-5-9(6-12)11-10(8(7)2)13-3-4-14-11/h5,12H,3-4,6H2,1-2H3
InChIKeySDYSCPJINKUBOW-UHFFFAOYSA-N
XLogP1.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6,7-dimethyl-1,3-benzodioxol-4-yl)methanol
CID 117278326
O-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
CID 117298625
3-(6,7-dimethyl-1,3-benzodioxol-4-yl)propan-1-ol
CID 117297652
3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropanoic acid
CID 117378854
2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 117319704
1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117442959
1-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
CID 117314195
(6,7,8-trimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 90380232
5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 13067783
3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine
CID 117342903
1-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropane-1-carboxylic acid
CID 117373353
(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 117400769

Frequently Asked Questions

What is the IUPAC name of (7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
The IUPAC name of (7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol (CID 117284629) is (7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol.
What is the SMILES notation for (7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
The canonical SMILES for (7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol is Cc1cc(CO)c2c(c1C)OCCO2.
What is the InChIKey of (7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
The InChIKey is SDYSCPJINKUBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-5-9(6-12)11-10(8(7)2)13-3-4-14-11/h5,12H,3-4,6H2,1-2H3.
What are the key properties of (7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol?
(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol has a molecular weight of 194.23 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol is sourced from PubChem (CID 117284629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).