[5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone

C20H13Cl2FO3 — CID 141114249

IUPAC[5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(Oc2c(Cl)cccc2Cl)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H13Cl2FO3/c1-25-18-10-9-14(26-20-16(21)3-2-4-17(20)22)11-15(18)19(24)12-5-7-13(23)8-6-12/h2-11H,1H3
InChIKeyKYMOTRGYJFUVDO-UHFFFAOYSA-N
MW391.23 g/mol
LogP6.16
Rot. Bonds5

About [5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone

[5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone (PubChem CID 141114249) has the molecular formula C20H13Cl2FO3 and a molecular weight of 391.23 g/mol. Its IUPAC name is [5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone
PubChem CID141114249
Molecular FormulaC20H13Cl2FO3
Molecular Weight391.23 g/mol
Exact Mass390.02
IUPAC Name[5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(Oc2c(Cl)cccc2Cl)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H13Cl2FO3/c1-25-18-10-9-14(26-20-16(21)3-2-4-17(20)22)11-15(18)19(24)12-5-7-13(23)8-6-12/h2-11H,1H3
InChIKeyKYMOTRGYJFUVDO-UHFFFAOYSA-N
XLogP6.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.23
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 64714149
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
5-(2,6-dichloro-4-methoxycarbonylphenoxy)-2-methoxybenzoic acid
CID 25133992
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
2-[4-[3-(4-fluorobenzoyl)-4-methoxyphenoxy]-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione
CID 22339706
[2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone
CID 175785307
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(3-chloro-2-fluorophenyl)-(4-fluorophenyl)methanone
CID 64714669

Frequently Asked Questions

What is the IUPAC name of [5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone (CID 141114249) is [5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone is COc1ccc(Oc2c(Cl)cccc2Cl)cc1C(=O)c1ccc(F)cc1.
What is the InChIKey of [5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone?
The InChIKey is KYMOTRGYJFUVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2FO3/c1-25-18-10-9-14(26-20-16(21)3-2-4-17(20)22)11-15(18)19(24)12-5-7-13(23)8-6-12/h2-11H,1H3.
What are the key properties of [5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone?
[5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone has a molecular weight of 391.23 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 141114249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).