[2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone

C19H15Cl2N3O3 — CID 22899990

IUPAC[2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccccc2)c(OCCc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C19H15Cl2N3O3/c1-26-13-7-8-14(17(25)12-5-3-2-4-6-12)15(11-13)27-10-9-16-22-18(20)24-19(21)23-16/h2-8,11H,9-10H2,1H3
InChIKeyFBDCAYYBQWSIAW-UHFFFAOYSA-N
MW404.25 g/mol
LogP4.04
Rot. Bonds7

About [2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone

[2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone (PubChem CID 22899990) has the molecular formula C19H15Cl2N3O3 and a molecular weight of 404.25 g/mol. Its IUPAC name is [2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone
PubChem CID22899990
Molecular FormulaC19H15Cl2N3O3
Molecular Weight404.25 g/mol
Exact Mass403.05
IUPAC Name[2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccccc2)c(OCCc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C19H15Cl2N3O3/c1-26-13-7-8-14(17(25)12-5-3-2-4-6-12)15(11-13)27-10-9-16-22-18(20)24-19(21)23-16/h2-8,11H,9-10H2,1H3
InChIKeyFBDCAYYBQWSIAW-UHFFFAOYSA-N
XLogP4.04
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
(2-benzoyl-5-methoxyphenyl) 6-chloropyridine-3-sulfonate
CID 31391111
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
CID 172864174
CID 172864174
CID 175499515
CID 175499515
2-[2-(5-chloro-2-pyridinyl)ethoxy]-4-methoxybenzoic acid
CID 91034439
4-benzoyl-3-butoxybenzoic acid
CID 21440121
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008
4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
CID 22687818
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507
methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate
CID 78766506

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone?
The IUPAC name of [2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone (CID 22899990) is [2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone.
What is the SMILES notation for [2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone?
The canonical SMILES for [2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone is COc1ccc(C(=O)c2ccccc2)c(OCCc2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of [2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone?
The InChIKey is FBDCAYYBQWSIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3/c1-26-13-7-8-14(17(25)12-5-3-2-4-6-12)15(11-13)27-10-9-16-22-18(20)24-19(21)23-16/h2-8,11H,9-10H2,1H3.
What are the key properties of [2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone?
[2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone has a molecular weight of 404.25 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone is sourced from PubChem (CID 22899990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).