1-chloro-4-(3-prop-2-enylphenyl)benzene

C15H13Cl — CID 57162575

IUPAC1-chloro-4-(3-prop-2-enylphenyl)benzene
SMILESC=CCc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13Cl/c1-2-4-12-5-3-6-14(11-12)13-7-9-15(16)10-8-13/h2-3,5-11H,1,4H2
InChIKeyMLFAZXGRXHIQDX-UHFFFAOYSA-N
MW228.72 g/mol
LogP4.74
Rot. Bonds3

About 1-chloro-4-(3-prop-2-enylphenyl)benzene

1-chloro-4-(3-prop-2-enylphenyl)benzene (PubChem CID 57162575) has the molecular formula C15H13Cl and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-chloro-4-(3-prop-2-enylphenyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(3-prop-2-enylphenyl)benzene
PubChem CID57162575
Molecular FormulaC15H13Cl
Molecular Weight228.72 g/mol
Exact Mass228.07
IUPAC Name1-chloro-4-(3-prop-2-enylphenyl)benzene
SMILESC=CCc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13Cl/c1-2-4-12-5-3-6-14(11-12)13-7-9-15(16)10-8-13/h2-3,5-11H,1,4H2
InChIKeyMLFAZXGRXHIQDX-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-prop-2-enylphenyl)benzene?
The IUPAC name of 1-chloro-4-(3-prop-2-enylphenyl)benzene (CID 57162575) is 1-chloro-4-(3-prop-2-enylphenyl)benzene.
What is the SMILES notation for 1-chloro-4-(3-prop-2-enylphenyl)benzene?
The canonical SMILES for 1-chloro-4-(3-prop-2-enylphenyl)benzene is C=CCc1cccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-chloro-4-(3-prop-2-enylphenyl)benzene?
The InChIKey is MLFAZXGRXHIQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl/c1-2-4-12-5-3-6-14(11-12)13-7-9-15(16)10-8-13/h2-3,5-11H,1,4H2.
What are the key properties of 1-chloro-4-(3-prop-2-enylphenyl)benzene?
1-chloro-4-(3-prop-2-enylphenyl)benzene has a molecular weight of 228.72 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-prop-2-enylphenyl)benzene is sourced from PubChem (CID 57162575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).