1-(dichloromethyl)-2-phenylbenzene;methane

C14H14Cl2 — CID 175246566

IUPAC1-(dichloromethyl)-2-phenylbenzene;methane
SMILESC.ClC(Cl)c1ccccc1-c1ccccc1
InChIInChI=1S/C13H10Cl2.CH4/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;1H4
InChIKeyLBVDAQPMZJDYFF-UHFFFAOYSA-N
MW253.17 g/mol
LogP5.47
Rot. Bonds2

About 1-(dichloromethyl)-2-phenylbenzene;methane

1-(dichloromethyl)-2-phenylbenzene;methane (PubChem CID 175246566) has the molecular formula C14H14Cl2 and a molecular weight of 253.17 g/mol. Its IUPAC name is 1-(dichloromethyl)-2-phenylbenzene;methane.

Molecular Properties

Compound Name1-(dichloromethyl)-2-phenylbenzene;methane
PubChem CID175246566
Molecular FormulaC14H14Cl2
Molecular Weight253.17 g/mol
Exact Mass252.05
IUPAC Name1-(dichloromethyl)-2-phenylbenzene;methane
SMILESC.ClC(Cl)c1ccccc1-c1ccccc1
InChIInChI=1S/C13H10Cl2.CH4/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;1H4
InChIKeyLBVDAQPMZJDYFF-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.17
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethyl)-2-phenylbenzene;methane?
The IUPAC name of 1-(dichloromethyl)-2-phenylbenzene;methane (CID 175246566) is 1-(dichloromethyl)-2-phenylbenzene;methane.
What is the SMILES notation for 1-(dichloromethyl)-2-phenylbenzene;methane?
The canonical SMILES for 1-(dichloromethyl)-2-phenylbenzene;methane is C.ClC(Cl)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-(dichloromethyl)-2-phenylbenzene;methane?
The InChIKey is LBVDAQPMZJDYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2.CH4/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;1H4.
What are the key properties of 1-(dichloromethyl)-2-phenylbenzene;methane?
1-(dichloromethyl)-2-phenylbenzene;methane has a molecular weight of 253.17 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)-2-phenylbenzene;methane is sourced from PubChem (CID 175246566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).