1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane

C19H22Cl2 — CID 143850476

IUPAC1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane
SMILESC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.CCCCC
InChIInChI=1S/C14H10Cl2.C5H12/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12;1-3-5-4-2/h2-9H,1H2;3-5H2,1-2H3
InChIKeyRJCWWIYTYXBRTC-UHFFFAOYSA-N
MW321.29 g/mol
LogP7.25
Rot. Bonds4

About 1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane

1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane (PubChem CID 143850476) has the molecular formula C19H22Cl2 and a molecular weight of 321.29 g/mol. Its IUPAC name is 1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane.

Molecular Properties

Compound Name1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane
PubChem CID143850476
Molecular FormulaC19H22Cl2
Molecular Weight321.29 g/mol
Exact Mass320.11
IUPAC Name1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane
SMILESC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.CCCCC
InChIInChI=1S/C14H10Cl2.C5H12/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12;1-3-5-4-2/h2-9H,1H2;3-5H2,1-2H3
InChIKeyRJCWWIYTYXBRTC-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.29
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-methylbenzene;pentane
CID 142041532
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)heptan-1-one
CID 12510889
4-[1-(4-chlorophenyl)ethenyl]benzonitrile
CID 54481297
bis[4-[1-(4-chlorophenyl)ethenyl]phenyl] carbonate
CID 141266892
2-(4-chlorobenzoyl)hexanoic acid
CID 67831538
2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198
7-(4-chlorophenyl)oct-7-en-4-ol
CID 13235819
(E)-3-(4-chlorophenyl)hept-2-enoic acid
CID 82049214
(Z)-2-butyl-3-(4-chlorophenyl)hex-2-en-1-ol
CID 134318703
2-[2-(4-chlorophenyl)prop-1-enylidene]hexanoic acid
CID 176521132
1-pentoxypentane;1-phenylethenylbenzene
CID 174459575

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane?
The IUPAC name of 1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane (CID 143850476) is 1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane.
What is the SMILES notation for 1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane?
The canonical SMILES for 1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane is C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.CCCCC.
What is the InChIKey of 1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane?
The InChIKey is RJCWWIYTYXBRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2.C5H12/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12;1-3-5-4-2/h2-9H,1H2;3-5H2,1-2H3.
What are the key properties of 1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane?
1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane has a molecular weight of 321.29 g/mol, XLogP of 7.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane is sourced from PubChem (CID 143850476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).