2,4-dichloro-1-phenylbenzene;methane;dihydrochloride

C13H14Cl4 — CID 175257985

IUPAC2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
SMILESC.Cl.Cl.Clc1ccc(-c2ccccc2)c(Cl)c1
InChIInChI=1S/C12H8Cl2.CH4.2ClH/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9;;;/h1-8H;1H4;2*1H
InChIKeyODDZMRAASYKCMF-UHFFFAOYSA-N
MW312.07 g/mol
LogP6.14
Rot. Bonds1

About 2,4-dichloro-1-phenylbenzene;methane;dihydrochloride

2,4-dichloro-1-phenylbenzene;methane;dihydrochloride (PubChem CID 175257985) has the molecular formula C13H14Cl4 and a molecular weight of 312.07 g/mol. Its IUPAC name is 2,4-dichloro-1-phenylbenzene;methane;dihydrochloride.

Molecular Properties

Compound Name2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
PubChem CID175257985
Molecular FormulaC13H14Cl4
Molecular Weight312.07 g/mol
Exact Mass309.98
IUPAC Name2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
SMILESC.Cl.Cl.Clc1ccc(-c2ccccc2)c(Cl)c1
InChIInChI=1S/C12H8Cl2.CH4.2ClH/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9;;;/h1-8H;1H4;2*1H
InChIKeyODDZMRAASYKCMF-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.07
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(2,4-dichlorophenyl)-2,6-diphenylthiopyrylium perchlorate
CID 88620208
3-chloro-4-phenylaniline;hydrochloride
CID 91622859
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
4-bromo-2-chloro-1-phenylbenzene
CID 13457416
[3-(2,4-dichlorophenyl)phenyl]methanol
CID 11139638
1,2,4-trichloro-5-phenylbenzene
CID 27514
3-chloro-4-(4-phenylphenyl)aniline
CID 107615840
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
sulfane;bis(1,2,4-trichloro-5-phenylbenzene)
CID 173160003
1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene
CID 157232417
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
1,2,4-trichloro-5-(4-phenylphenyl)benzene
CID 90106451

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-phenylbenzene;methane;dihydrochloride?
The IUPAC name of 2,4-dichloro-1-phenylbenzene;methane;dihydrochloride (CID 175257985) is 2,4-dichloro-1-phenylbenzene;methane;dihydrochloride.
What is the SMILES notation for 2,4-dichloro-1-phenylbenzene;methane;dihydrochloride?
The canonical SMILES for 2,4-dichloro-1-phenylbenzene;methane;dihydrochloride is C.Cl.Cl.Clc1ccc(-c2ccccc2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-1-phenylbenzene;methane;dihydrochloride?
The InChIKey is ODDZMRAASYKCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2.CH4.2ClH/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9;;;/h1-8H;1H4;2*1H.
What are the key properties of 2,4-dichloro-1-phenylbenzene;methane;dihydrochloride?
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride has a molecular weight of 312.07 g/mol, XLogP of 6.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-phenylbenzene;methane;dihydrochloride is sourced from PubChem (CID 175257985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).