7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol

C10H12O3 — CID 16723715

IUPAC7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
SMILESCc1ccc2c(c1)OCC(O)CO2
InChIInChI=1S/C10H12O3/c1-7-2-3-9-10(4-7)13-6-8(11)5-12-9/h2-4,8,11H,5-6H2,1H3
InChIKeyFIVSOAZTLWVJLX-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.13
Rot. Bonds

About 7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol

7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol (PubChem CID 16723715) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol.

Molecular Properties

Compound Name7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
PubChem CID16723715
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
SMILESCc1ccc2c(c1)OCC(O)CO2
InChIInChI=1S/C10H12O3/c1-7-2-3-9-10(4-7)13-6-8(11)5-12-9/h2-4,8,11H,5-6H2,1H3
InChIKeyFIVSOAZTLWVJLX-UHFFFAOYSA-N
XLogP1.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol?
The IUPAC name of 7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol (CID 16723715) is 7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol.
What is the SMILES notation for 7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol?
The canonical SMILES for 7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol is Cc1ccc2c(c1)OCC(O)CO2.
What is the InChIKey of 7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol?
The InChIKey is FIVSOAZTLWVJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-2-3-9-10(4-7)13-6-8(11)5-12-9/h2-4,8,11H,5-6H2,1H3.
What are the key properties of 7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol?
7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol has a molecular weight of 180.20 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol is sourced from PubChem (CID 16723715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).