(4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene

C21H22BrCl — CID 154939574

IUPAC(4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene
SMILESCC/C=C1/CC(c2ccc(Br)c(CC)c2)Cc2c(Cl)cccc21
InChIInChI=1S/C21H22BrCl/c1-3-6-16-12-17(13-19-18(16)7-5-8-21(19)23)15-9-10-20(22)14(4-2)11-15/h5-11,17H,3-4,12-13H2,1-2H3/b16-6-
InChIKeyJQBOKFYTBMSMII-SOFYXZRVSA-N
MW389.76 g/mol
LogP7.19
Rot. Bonds3

About (4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene

(4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene (PubChem CID 154939574) has the molecular formula C21H22BrCl and a molecular weight of 389.76 g/mol. Its IUPAC name is (4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name(4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene
PubChem CID154939574
Molecular FormulaC21H22BrCl
Molecular Weight389.76 g/mol
Exact Mass388.06
IUPAC Name(4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene
SMILESCC/C=C1/CC(c2ccc(Br)c(CC)c2)Cc2c(Cl)cccc21
InChIInChI=1S/C21H22BrCl/c1-3-6-16-12-17(13-19-18(16)7-5-8-21(19)23)15-9-10-20(22)14(4-2)11-15/h5-11,17H,3-4,12-13H2,1-2H3/b16-6-
InChIKeyJQBOKFYTBMSMII-SOFYXZRVSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.76
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene?
The IUPAC name of (4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene (CID 154939574) is (4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for (4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene?
The canonical SMILES for (4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene is CC/C=C1/CC(c2ccc(Br)c(CC)c2)Cc2c(Cl)cccc21.
What is the InChIKey of (4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene?
The InChIKey is JQBOKFYTBMSMII-SOFYXZRVSA-N. The full InChI is InChI=1S/C21H22BrCl/c1-3-6-16-12-17(13-19-18(16)7-5-8-21(19)23)15-9-10-20(22)14(4-2)11-15/h5-11,17H,3-4,12-13H2,1-2H3/b16-6-.
What are the key properties of (4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene?
(4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene has a molecular weight of 389.76 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-bromo-3-ethylphenyl)-8-chloro-4-propylidene-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 154939574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).