6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine

C23H19ClO2 — CID 101410011

IUPAC6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine
SMILESCl/C(=C\C(c1ccccc1)c1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C23H19ClO2/c24-21(18-9-5-2-6-10-18)16-20(17-7-3-1-4-8-17)19-11-12-22-23(15-19)26-14-13-25-22/h1-12,15-16,20H,13-14H2/b21-16-
InChIKeyBYNNXVJZIFINIP-PGMHBOJBSA-N
MW362.86 g/mol
LogP5.87
Rot. Bonds4

About 6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine

6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 101410011) has the molecular formula C23H19ClO2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID101410011
Molecular FormulaC23H19ClO2
Molecular Weight362.86 g/mol
Exact Mass362.11
IUPAC Name6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine
SMILESCl/C(=C\C(c1ccccc1)c1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C23H19ClO2/c24-21(18-9-5-2-6-10-18)16-20(17-7-3-1-4-8-17)19-11-12-22-23(15-19)26-14-13-25-22/h1-12,15-16,20H,13-14H2/b21-16-
InChIKeyBYNNXVJZIFINIP-PGMHBOJBSA-N
XLogP5.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanamine
CID 25273117
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanamine
CID 43481511
3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol
CID 65189468
6-[3-(3-chlorophenyl)-4,4-difluoro-1-phenylbut-3-enyl]-2,3-dihydro-1,4-benzodioxine
CID 168720200
2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetaldehyde
CID 87256824
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]benzamide
CID 119099537
6-[chloro-(1-phenylcyclopropyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63433972
2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61046992
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61047739
2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 60990813

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine (CID 101410011) is 6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine is Cl/C(=C\C(c1ccccc1)c1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of 6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is BYNNXVJZIFINIP-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H19ClO2/c24-21(18-9-5-2-6-10-18)16-20(17-7-3-1-4-8-17)19-11-12-22-23(15-19)26-14-13-25-22/h1-12,15-16,20H,13-14H2/b21-16-.
What are the key properties of 6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine?
6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 362.86 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-3-chloro-1,3-diphenylprop-2-enyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 101410011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).