1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene

C21H22Cl2 — CID 68850657

IUPAC1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene
SMILESCC=Cc1cc(C(C)(C)c2ccc(Cl)c(C=CC)c2)ccc1Cl
InChIInChI=1S/C21H22Cl2/c1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2/h5-14H,1-4H3
InChIKeyHXQWTOLHFDGHCK-UHFFFAOYSA-N
MW345.31 g/mol
LogP7.39
Rot. Bonds4

About 1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene

1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene (PubChem CID 68850657) has the molecular formula C21H22Cl2 and a molecular weight of 345.31 g/mol. Its IUPAC name is 1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene.

Molecular Properties

Compound Name1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene
PubChem CID68850657
Molecular FormulaC21H22Cl2
Molecular Weight345.31 g/mol
Exact Mass344.11
IUPAC Name1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene
SMILESCC=Cc1cc(C(C)(C)c2ccc(Cl)c(C=CC)c2)ccc1Cl
InChIInChI=1S/C21H22Cl2/c1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2/h5-14H,1-4H3
InChIKeyHXQWTOLHFDGHCK-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.31
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene?
The IUPAC name of 1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene (CID 68850657) is 1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene.
What is the SMILES notation for 1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene?
The canonical SMILES for 1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene is CC=Cc1cc(C(C)(C)c2ccc(Cl)c(C=CC)c2)ccc1Cl.
What is the InChIKey of 1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene?
The InChIKey is HXQWTOLHFDGHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2/c1-5-7-15-13-17(9-11-19(15)22)21(3,4)18-10-12-20(23)16(14-18)8-6-2/h5-14H,1-4H3.
What are the key properties of 1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene?
1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene has a molecular weight of 345.31 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(4-chloro-3-prop-1-enylphenyl)propan-2-yl]-2-prop-1-enylbenzene is sourced from PubChem (CID 68850657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).