6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine

C20H17ClO2 — CID 100816911

IUPAC6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine
SMILESC=C1/C(=C/c2cc(Cl)cc3c2OCOC3)CCc2ccccc21
InChIInChI=1S/C20H17ClO2/c1-13-15(7-6-14-4-2-3-5-19(13)14)8-16-9-18(21)10-17-11-22-12-23-20(16)17/h2-5,8-10H,1,6-7,11-12H2/b15-8+
InChIKeyNXHGMAHLFZNRQH-OVCLIPMQSA-N
MW324.81 g/mol
LogP5.25
Rot. Bonds1

About 6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine

6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine (PubChem CID 100816911) has the molecular formula C20H17ClO2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine.

Molecular Properties

Compound Name6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine
PubChem CID100816911
Molecular FormulaC20H17ClO2
Molecular Weight324.81 g/mol
Exact Mass324.09
IUPAC Name6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine
SMILESC=C1/C(=C/c2cc(Cl)cc3c2OCOC3)CCc2ccccc21
InChIInChI=1S/C20H17ClO2/c1-13-15(7-6-14-4-2-3-5-19(13)14)8-16-9-18(21)10-17-11-22-12-23-20(16)17/h2-5,8-10H,1,6-7,11-12H2/b15-8+
InChIKeyNXHGMAHLFZNRQH-OVCLIPMQSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.81
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine with MolForge

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Related Compounds

6-chloro-4H-1,3-benzodioxine-8-carbaldehyde
CID 3973413
(2E)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylidene]-3,4-dihydronaphthalen-1-one
CID 9185680
8-bromo-6-chloro-4H-1,3-benzodioxine
CID 14520335
2-[(2,4-dichlorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 711408
(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-7-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-6-hydroxy-1-benzofuran-3-one
CID 29105215
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-7-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-6-hydroxy-1-benzofuran-3-one
CID 163181650
[(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-yl] 2-bromobenzoate
CID 95397707
(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
CID 16770161
8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine
CID 142258026
(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-7-methyl-6-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-benzofuran-3-one
CID 95398643
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 60686621
2-(6-chloro-4H-1,3-benzodioxin-8-yl)-2,3-dihydrochromen-4-one
CID 3807780

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine?
The IUPAC name of 6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine (CID 100816911) is 6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine.
What is the SMILES notation for 6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine?
The canonical SMILES for 6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine is C=C1/C(=C/c2cc(Cl)cc3c2OCOC3)CCc2ccccc21.
What is the InChIKey of 6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine?
The InChIKey is NXHGMAHLFZNRQH-OVCLIPMQSA-N. The full InChI is InChI=1S/C20H17ClO2/c1-13-15(7-6-14-4-2-3-5-19(13)14)8-16-9-18(21)10-17-11-22-12-23-20(16)17/h2-5,8-10H,1,6-7,11-12H2/b15-8+.
What are the key properties of 6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine?
6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine has a molecular weight of 324.81 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(E)-(1-methylidene-3,4-dihydronaphthalen-2-ylidene)methyl]-4H-1,3-benzodioxine is sourced from PubChem (CID 100816911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).