1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene

C20H19Cl — CID 102481634

IUPAC1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene
SMILESCC(=C=Cc1ccccc1C=C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl/c1-15(2)14-19-7-5-4-6-18(19)9-8-16(3)17-10-12-20(21)13-11-17/h4-7,9-14H,1-3H3
InChIKeyFAHSEDJTNGUNGJ-UHFFFAOYSA-N
MW294.82 g/mol
LogP6.48
Rot. Bonds3

About 1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene

1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene (PubChem CID 102481634) has the molecular formula C20H19Cl and a molecular weight of 294.82 g/mol. Its IUPAC name is 1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene
PubChem CID102481634
Molecular FormulaC20H19Cl
Molecular Weight294.82 g/mol
Exact Mass294.12
IUPAC Name1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene
SMILESCC(=C=Cc1ccccc1C=C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl/c1-15(2)14-19-7-5-4-6-18(19)9-8-16(3)17-10-12-20(21)13-11-17/h4-7,9-14H,1-3H3
InChIKeyFAHSEDJTNGUNGJ-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.82
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-bis(3-methylbuta-1,2-dienyl)benzene
CID 12825766
(Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one
CID 70387335
ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene
CID 143654751
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
1-(4-chlorophenyl)-3-methylbut-2-en-1-one
CID 15164203
2-(2-methylprop-1-enyl)benzenethiol
CID 90136513
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
5-chloro-2-(2-methylprop-1-enyl)phenol
CID 13333887
1-chloro-3-[2-[2-(2-methylprop-1-enyl)phenyl]ethynyl]benzene
CID 172638931
benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
CID 144639766
(Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid
CID 83954367

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene?
The IUPAC name of 1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene (CID 102481634) is 1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene is CC(=C=Cc1ccccc1C=C(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene?
The InChIKey is FAHSEDJTNGUNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl/c1-15(2)14-19-7-5-4-6-18(19)9-8-16(3)17-10-12-20(21)13-11-17/h4-7,9-14H,1-3H3.
What are the key properties of 1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene?
1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene has a molecular weight of 294.82 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-[2-(2-methylprop-1-enyl)phenyl]buta-2,3-dien-2-yl]benzene is sourced from PubChem (CID 102481634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).