7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine

C19H16O2 — CID 22299009

IUPAC7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine
SMILESc1ccc2cc(-c3ccc4c(c3)OCCCO4)ccc2c1
InChIInChI=1S/C19H16O2/c1-2-5-15-12-16(7-6-14(15)4-1)17-8-9-18-19(13-17)21-11-3-10-20-18/h1-2,4-9,12-13H,3,10-11H2
InChIKeyAIDQYGVLMFRYOE-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.67
Rot. Bonds1

About 7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine

7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine (PubChem CID 22299009) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine.

Molecular Properties

Compound Name7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine
PubChem CID22299009
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine
SMILESc1ccc2cc(-c3ccc4c(c3)OCCCO4)ccc2c1
InChIInChI=1S/C19H16O2/c1-2-5-15-12-16(7-6-14(15)4-1)17-8-9-18-19(13-17)21-11-3-10-20-18/h1-2,4-9,12-13H,3,10-11H2
InChIKeyAIDQYGVLMFRYOE-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine 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

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenol
CID 83128683
7-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 58689144
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
CID 3486729
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-1,3-thiazole
CID 9320259
2-bromo-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-oxazole
CID 102974620
4,15,19,32-tetraoxapentacyclo[16.14.2.02,17.05,14.07,12]tetratriaconta-1,5,7,9,11,13,17,33-octaene
CID 101377057
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2811833
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 134033259
benzo[f]azulene
CID 13065869
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356265

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine?
The IUPAC name of 7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine (CID 22299009) is 7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine.
What is the SMILES notation for 7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine?
The canonical SMILES for 7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine is c1ccc2cc(-c3ccc4c(c3)OCCCO4)ccc2c1.
What is the InChIKey of 7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine?
The InChIKey is AIDQYGVLMFRYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-2-5-15-12-16(7-6-14(15)4-1)17-8-9-18-19(13-17)21-11-3-10-20-18/h1-2,4-9,12-13H,3,10-11H2.
What are the key properties of 7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine?
7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine has a molecular weight of 276.34 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine is sourced from PubChem (CID 22299009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).