chlorobenzene;phenoxybenzene

C18H15ClO — CID 66911253

IUPACchlorobenzene;phenoxybenzene
SMILESClc1ccccc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C6H5Cl/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h1-10H;1-5H
InChIKeyFSQODDNAUDJQQE-UHFFFAOYSA-N
MW282.77 g/mol
LogP5.82
Rot. Bonds2

About chlorobenzene;phenoxybenzene

chlorobenzene;phenoxybenzene (PubChem CID 66911253) has the molecular formula C18H15ClO and a molecular weight of 282.77 g/mol. Its IUPAC name is chlorobenzene;phenoxybenzene.

Molecular Properties

Compound Namechlorobenzene;phenoxybenzene
PubChem CID66911253
Molecular FormulaC18H15ClO
Molecular Weight282.77 g/mol
Exact Mass282.08
IUPAC Namechlorobenzene;phenoxybenzene
SMILESClc1ccccc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C6H5Cl/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h1-10H;1-5H
InChIKeyFSQODDNAUDJQQE-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.77
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
benzene;chlorobenzene
CID 159657667
1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene
CID 139804486
potassium;hydride;phenoxybenzene
CID 173391576
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
chlorobenzene;chromium
CID 139244081
azane;chlorobenzene
CID 20560159
bismuthane;chlorobenzene
CID 174535973
oxophosphanium;phenoxybenzene
CID 161329594
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;phenoxybenzene?
The IUPAC name of chlorobenzene;phenoxybenzene (CID 66911253) is chlorobenzene;phenoxybenzene.
What is the SMILES notation for chlorobenzene;phenoxybenzene?
The canonical SMILES for chlorobenzene;phenoxybenzene is Clc1ccccc1.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of chlorobenzene;phenoxybenzene?
The InChIKey is FSQODDNAUDJQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C6H5Cl/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h1-10H;1-5H.
What are the key properties of chlorobenzene;phenoxybenzene?
chlorobenzene;phenoxybenzene has a molecular weight of 282.77 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;phenoxybenzene is sourced from PubChem (CID 66911253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).