1-chloro-4-[(2-ethenylphenyl)methyl]benzene

C15H13Cl — CID 21218414

IUPAC1-chloro-4-[(2-ethenylphenyl)methyl]benzene
SMILESC=Cc1ccccc1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl/c1-2-13-5-3-4-6-14(13)11-12-7-9-15(16)10-8-12/h2-10H,1,11H2
InChIKeyVDNAMTMXGNUFGD-UHFFFAOYSA-N
MW228.72 g/mol
LogP4.57
Rot. Bonds3

About 1-chloro-4-[(2-ethenylphenyl)methyl]benzene

1-chloro-4-[(2-ethenylphenyl)methyl]benzene (PubChem CID 21218414) has the molecular formula C15H13Cl and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-chloro-4-[(2-ethenylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(2-ethenylphenyl)methyl]benzene
PubChem CID21218414
Molecular FormulaC15H13Cl
Molecular Weight228.72 g/mol
Exact Mass228.07
IUPAC Name1-chloro-4-[(2-ethenylphenyl)methyl]benzene
SMILESC=Cc1ccccc1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl/c1-2-13-5-3-4-6-14(13)11-12-7-9-15(16)10-8-12/h2-10H,1,11H2
InChIKeyVDNAMTMXGNUFGD-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 54.57
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-ethenylphenyl)methyl]benzene?
The IUPAC name of 1-chloro-4-[(2-ethenylphenyl)methyl]benzene (CID 21218414) is 1-chloro-4-[(2-ethenylphenyl)methyl]benzene.
What is the SMILES notation for 1-chloro-4-[(2-ethenylphenyl)methyl]benzene?
The canonical SMILES for 1-chloro-4-[(2-ethenylphenyl)methyl]benzene is C=Cc1ccccc1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(2-ethenylphenyl)methyl]benzene?
The InChIKey is VDNAMTMXGNUFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl/c1-2-13-5-3-4-6-14(13)11-12-7-9-15(16)10-8-12/h2-10H,1,11H2.
What are the key properties of 1-chloro-4-[(2-ethenylphenyl)methyl]benzene?
1-chloro-4-[(2-ethenylphenyl)methyl]benzene has a molecular weight of 228.72 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(2-ethenylphenyl)methyl]benzene is sourced from PubChem (CID 21218414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).