1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene

C20H16Cl2O2 — CID 12765877

IUPAC1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene
SMILESClC(Cl)c1cccc(Oc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C20H16Cl2O2/c21-20(22)16-7-4-8-19(13-16)24-18-11-9-17(10-12-18)23-14-15-5-2-1-3-6-15/h1-13,20H,14H2
InChIKeyFUWLBIYUYWEBPX-UHFFFAOYSA-N
MW359.25 g/mol
LogP6.53
Rot. Bonds6

About 1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene

1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene (PubChem CID 12765877) has the molecular formula C20H16Cl2O2 and a molecular weight of 359.25 g/mol. Its IUPAC name is 1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene.

Molecular Properties

Compound Name1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene
PubChem CID12765877
Molecular FormulaC20H16Cl2O2
Molecular Weight359.25 g/mol
Exact Mass358.05
IUPAC Name1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene
SMILESClC(Cl)c1cccc(Oc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C20H16Cl2O2/c21-20(22)16-7-4-8-19(13-16)24-18-11-9-17(10-12-18)23-14-15-5-2-1-3-6-15/h1-13,20H,14H2
InChIKeyFUWLBIYUYWEBPX-UHFFFAOYSA-N
XLogP6.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.25
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
4-(3-phenylmethoxyphenoxy)aniline
CID 89036367
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene
CID 21466253
3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile
CID 23082906
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248

Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene?
The IUPAC name of 1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene (CID 12765877) is 1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene.
What is the SMILES notation for 1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene?
The canonical SMILES for 1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene is ClC(Cl)c1cccc(Oc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene?
The InChIKey is FUWLBIYUYWEBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2O2/c21-20(22)16-7-4-8-19(13-16)24-18-11-9-17(10-12-18)23-14-15-5-2-1-3-6-15/h1-13,20H,14H2.
What are the key properties of 1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene?
1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene has a molecular weight of 359.25 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)-3-(4-phenylmethoxyphenoxy)benzene is sourced from PubChem (CID 12765877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).