1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene

C16H15ClO — CID 70376426

IUPAC1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene
SMILESCC(=Cc1ccccc1CCl)Oc1ccccc1
InChIInChI=1S/C16H15ClO/c1-13(18-16-9-3-2-4-10-16)11-14-7-5-6-8-15(14)12-17/h2-11H,12H2,1H3
InChIKeyPTKCLMRUGYXCAM-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.87
Rot. Bonds4

About 1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene

1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene (PubChem CID 70376426) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene
PubChem CID70376426
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene
SMILESCC(=Cc1ccccc1CCl)Oc1ccccc1
InChIInChI=1S/C16H15ClO/c1-13(18-16-9-3-2-4-10-16)11-14-7-5-6-8-15(14)12-17/h2-11H,12H2,1H3
InChIKeyPTKCLMRUGYXCAM-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene?
The IUPAC name of 1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene (CID 70376426) is 1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene.
What is the SMILES notation for 1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene?
The canonical SMILES for 1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene is CC(=Cc1ccccc1CCl)Oc1ccccc1.
What is the InChIKey of 1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene?
The InChIKey is PTKCLMRUGYXCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c1-13(18-16-9-3-2-4-10-16)11-14-7-5-6-8-15(14)12-17/h2-11H,12H2,1H3.
What are the key properties of 1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene?
1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene has a molecular weight of 258.75 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-(2-phenoxyprop-1-enyl)benzene is sourced from PubChem (CID 70376426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).