3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol

C18H20O3 — CID 64513516

IUPAC3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol
SMILESOC(CCc1ccc2c(c1)OCCCO2)c1ccccc1
InChIInChI=1S/C18H20O3/c19-16(15-5-2-1-3-6-15)9-7-14-8-10-17-18(13-14)21-12-4-11-20-17/h1-3,5-6,8,10,13,16,19H,4,7,9,11-12H2
InChIKeyQAIPBRUMWFBWJI-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.51
Rot. Bonds4

About 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol (PubChem CID 64513516) has the molecular formula C18H20O3 and a molecular weight of 284.35 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol
PubChem CID64513516
Molecular FormulaC18H20O3
Molecular Weight284.35 g/mol
Exact Mass284.14
IUPAC Name3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol
SMILESOC(CCc1ccc2c(c1)OCCCO2)c1ccccc1
InChIInChI=1S/C18H20O3/c19-16(15-5-2-1-3-6-15)9-7-14-8-10-17-18(13-14)21-12-4-11-20-17/h1-3,5-6,8,10,13,16,19H,4,7,9,11-12H2
InChIKeyQAIPBRUMWFBWJI-UHFFFAOYSA-N
XLogP3.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,1-diol
CID 163584472
1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol
CID 64513955
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]propan-1-one
CID 86945383
1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol
CID 18972190
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyridin-2-ylpropan-1-ol
CID 105094348
1-phenylethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoate
CID 86944146
7-(3-chloro-4-methylpentyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 64508886
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(furan-2-yl)propan-1-ol
CID 105094293
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006159
(1R)-3-naphthalen-2-yl-1-phenylpropan-1-ol
CID 171482397
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006160
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 65446224

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol?
The IUPAC name of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol (CID 64513516) is 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol is OC(CCc1ccc2c(c1)OCCCO2)c1ccccc1.
What is the InChIKey of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol?
The InChIKey is QAIPBRUMWFBWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c19-16(15-5-2-1-3-6-15)9-7-14-8-10-17-18(13-14)21-12-4-11-20-17/h1-3,5-6,8,10,13,16,19H,4,7,9,11-12H2.
What are the key properties of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol?
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol has a molecular weight of 284.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 64513516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).