[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol

C14H18O3 — CID 116842464

IUPAC[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol
SMILESCC1CC1(CO)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H18O3/c1-10-8-14(10,9-15)11-3-4-12-13(7-11)17-6-2-5-16-12/h3-4,7,10,15H,2,5-6,8-9H2,1H3
InChIKeyVZLKVUXBSPBMDP-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.12
Rot. Bonds2

About [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol

[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol (PubChem CID 116842464) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol
PubChem CID116842464
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol
SMILESCC1CC1(CO)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H18O3/c1-10-8-14(10,9-15)11-3-4-12-13(7-11)17-6-2-5-16-12/h3-4,7,10,15H,2,5-6,8-9H2,1H3
InChIKeyVZLKVUXBSPBMDP-UHFFFAOYSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclopropyl]methanol
CID 116963432
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxycyclobutan-1-ol
CID 106823257
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methylcyclohexan-1-amine
CID 62788659
N-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methyl]propan-2-amine
CID 62704970
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963021
N-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 62714394
N-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine
CID 62713169
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171963019
6-(2-methyl-1,3-dioxan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 82129515
[1-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842630
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5-dimethylpyrrolidin-2-one
CID 66106751
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclopropane-1-carbohydrazide
CID 116846036

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol?
The IUPAC name of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol (CID 116842464) is [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol.
What is the SMILES notation for [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol?
The canonical SMILES for [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol is CC1CC1(CO)c1ccc2c(c1)OCCCO2.
What is the InChIKey of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol?
The InChIKey is VZLKVUXBSPBMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10-8-14(10,9-15)11-3-4-12-13(7-11)17-6-2-5-16-12/h3-4,7,10,15H,2,5-6,8-9H2,1H3.
What are the key properties of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol?
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol has a molecular weight of 234.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropyl]methanol is sourced from PubChem (CID 116842464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).