1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene

C19H15ClO2 — CID 54171722

IUPAC1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
SMILESClc1ccc(COc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H15ClO2/c20-16-8-6-15(7-9-16)14-21-17-10-12-19(13-11-17)22-18-4-2-1-3-5-18/h1-13H,14H2
InChIKeyOVMQLMADFWUKKW-UHFFFAOYSA-N
MW310.78 g/mol
LogP5.71
Rot. Bonds5

About 1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene

1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene (PubChem CID 54171722) has the molecular formula C19H15ClO2 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
PubChem CID54171722
Molecular FormulaC19H15ClO2
Molecular Weight310.78 g/mol
Exact Mass310.08
IUPAC Name1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
SMILESClc1ccc(COc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H15ClO2/c20-16-8-6-15(7-9-16)14-21-17-10-12-19(13-11-17)22-18-4-2-1-3-5-18/h1-13H,14H2
InChIKeyOVMQLMADFWUKKW-UHFFFAOYSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.78
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline
CID 141092250
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
CID 146594775
chlorobenzene;phenoxybenzene
CID 66911253
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene
CID 54377067
1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole
CID 141148615
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene
CID 12765877
(Z)-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methylidene]hydrazine
CID 134121607

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene?
The IUPAC name of 1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene (CID 54171722) is 1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene.
What is the SMILES notation for 1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene?
The canonical SMILES for 1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene is Clc1ccc(COc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene?
The InChIKey is OVMQLMADFWUKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO2/c20-16-8-6-15(7-9-16)14-21-17-10-12-19(13-11-17)22-18-4-2-1-3-5-18/h1-13H,14H2.
What are the key properties of 1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene?
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene has a molecular weight of 310.78 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene is sourced from PubChem (CID 54171722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).