(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol

C11H14O3 — CID 117284628

IUPAC(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol
SMILESCc1cc(CO)cc2c1OCCCO2
InChIInChI=1S/C11H14O3/c1-8-5-9(7-12)6-10-11(8)14-4-2-3-13-10/h5-6,12H,2-4,7H2,1H3
InChIKeyWHUKYBBXVZZWAM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.65
Rot. Bonds1

About (6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol

(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol (PubChem CID 117284628) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol.

Molecular Properties

Compound Name(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol
PubChem CID117284628
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol
SMILESCc1cc(CO)cc2c1OCCCO2
InChIInChI=1S/C11H14O3/c1-8-5-9(7-12)6-10-11(8)14-4-2-3-13-10/h5-6,12H,2-4,7H2,1H3
InChIKeyWHUKYBBXVZZWAM-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 117284513
8-(isocyanatomethyl)-6-methyl-3,4-dihydro-2H-1,5-benzodioxepine
CID 117311956
2-methyl-N-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propan-1-amine
CID 58080517
1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117297581
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 43143963
5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 84652316
[1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine
CID 117338394
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117297535
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 27015953
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methylamino]ethanol
CID 60684036
2-[7-(hydroxymethyl)-3,4-dihydro-2H-chromen-5-yl]acetic acid
CID 174651205
3-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-ol
CID 117325306

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol?
The IUPAC name of (6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol (CID 117284628) is (6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol.
What is the SMILES notation for (6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol?
The canonical SMILES for (6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol is Cc1cc(CO)cc2c1OCCCO2.
What is the InChIKey of (6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol?
The InChIKey is WHUKYBBXVZZWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-5-9(7-12)6-10-11(8)14-4-2-3-13-10/h5-6,12H,2-4,7H2,1H3.
What are the key properties of (6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol?
(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol has a molecular weight of 194.23 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol is sourced from PubChem (CID 117284628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).