1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one

C17H16Cl2O4 — CID 134145001

IUPAC1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1c(O)cc(O)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H16Cl2O4/c1-9(2)17(22)16-14(21)6-10(20)7-15(16)23-8-11-12(18)4-3-5-13(11)19/h3-7,9,20-21H,8H2,1-2H3
InChIKeyOJSABWRYWJKNJB-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.82
Rot. Bonds5

About 1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one

1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one (PubChem CID 134145001) has the molecular formula C17H16Cl2O4 and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one
PubChem CID134145001
Molecular FormulaC17H16Cl2O4
Molecular Weight355.22 g/mol
Exact Mass354.04
IUPAC Name1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1c(O)cc(O)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H16Cl2O4/c1-9(2)17(22)16-14(21)6-10(20)7-15(16)23-8-11-12(18)4-3-5-13(11)19/h3-7,9,20-21H,8H2,1-2H3
InChIKeyOJSABWRYWJKNJB-UHFFFAOYSA-N
XLogP4.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393
2-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]-4-methylpentanoic acid
CID 66528396
2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
CID 115298074
[2-[(2-bromo-4-ethyl-5-fluorophenoxy)methyl]-3-chlorophenyl] propanoate
CID 122649051
(1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 63368063
1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone
CID 116541044
1-(2-chloro-4-hydroxyphenyl)-2-methylpropan-1-one
CID 59682183
2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 28825797
2-[2-[(2,6-dichlorophenyl)methoxy]phenoxy]ethanol
CID 78879031
(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63485360
N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695682
5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 43379989

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one (CID 134145001) is 1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one is CC(C)C(=O)c1c(O)cc(O)cc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one?
The InChIKey is OJSABWRYWJKNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O4/c1-9(2)17(22)16-14(21)6-10(20)7-15(16)23-8-11-12(18)4-3-5-13(11)19/h3-7,9,20-21H,8H2,1-2H3.
What are the key properties of 1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one?
1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one has a molecular weight of 355.22 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-dichlorophenyl)methoxy]-4,6-dihydroxyphenyl]-2-methylpropan-1-one is sourced from PubChem (CID 134145001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).