3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine

C15H20O2 — CID 10353889

IUPAC3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine
SMILESc1ccc2c(c1)COC(C1CCCCC1)OC2
InChIInChI=1S/C15H20O2/c1-2-6-12(7-3-1)15-16-10-13-8-4-5-9-14(13)11-17-15/h4-5,8-9,12,15H,1-3,6-7,10-11H2
InChIKeyBYIVZXJQFIIENM-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.64
Rot. Bonds1

About 3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine

3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine (PubChem CID 10353889) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine.

Molecular Properties

Compound Name3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine
PubChem CID10353889
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine
SMILESc1ccc2c(c1)COC(C1CCCCC1)OC2
InChIInChI=1S/C15H20O2/c1-2-6-12(7-3-1)15-16-10-13-8-4-5-9-14(13)11-17-15/h4-5,8-9,12,15H,1-3,6-7,10-11H2
InChIKeyBYIVZXJQFIIENM-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,5-dihydro-2,4-benzodioxepin-3-yl)piperidine
CID 115062610
1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene;biphenylene
CID 161014557
1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine
CID 739229
3-cyclohexyl-3-methyl-1,5-dihydro-2,4,3-benzodioxasilepine
CID 25228306
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 519137
1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)pyrrolidine;hydrochloride
CID 45127898
1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,4-tetrahydronaphthalene
CID 166550494
2-cyclohexyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165487729
bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene
CID 162275077
3-(2-bromopropan-2-yl)-1,5-dihydro-2,4-benzodioxepine
CID 2764101
6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one
CID 175058457

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine?
The IUPAC name of 3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine (CID 10353889) is 3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine.
What is the SMILES notation for 3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine?
The canonical SMILES for 3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine is c1ccc2c(c1)COC(C1CCCCC1)OC2.
What is the InChIKey of 3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine?
The InChIKey is BYIVZXJQFIIENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-6-12(7-3-1)15-16-10-13-8-4-5-9-14(13)11-17-15/h4-5,8-9,12,15H,1-3,6-7,10-11H2.
What are the key properties of 3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine?
3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine has a molecular weight of 232.32 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,5-dihydro-2,4-benzodioxepine is sourced from PubChem (CID 10353889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).