1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone

C25H34Cl2O6Si — CID 162249500

IUPAC1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone
SMILESCC(=O)c1cc(O)cc(Cl)c1O.CC(=O)c1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(Cl)c1O
InChIInChI=1S/C17H27ClO3Si.C8H7ClO3/c1-10(2)22(11(3)4,12(5)6)21-14-8-15(13(7)19)17(20)16(18)9-14;1-4(10)6-2-5(11)3-7(9)8(6)12/h8-12,20H,1-7H3;2-3,11-12H,1H3
InChIKeyZXUIZGCNGYWSFV-UHFFFAOYSA-N
MW529.53 g/mol
LogP7.76
Rot. Bonds7

About 1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone

1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone (PubChem CID 162249500) has the molecular formula C25H34Cl2O6Si and a molecular weight of 529.53 g/mol. Its IUPAC name is 1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone.

Molecular Properties

Compound Name1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone
PubChem CID162249500
Molecular FormulaC25H34Cl2O6Si
Molecular Weight529.53 g/mol
Exact Mass528.15
IUPAC Name1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone
SMILESCC(=O)c1cc(O)cc(Cl)c1O.CC(=O)c1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(Cl)c1O
InChIInChI=1S/C17H27ClO3Si.C8H7ClO3/c1-10(2)22(11(3)4,12(5)6)21-14-8-15(13(7)19)17(20)16(18)9-14;1-4(10)6-2-5(11)3-7(9)8(6)12/h8-12,20H,1-7H3;2-3,11-12H,1H3
InChIKeyZXUIZGCNGYWSFV-UHFFFAOYSA-N
XLogP7.76
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.53
LogP ≤ 57.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-5-hydroxy-2-methylphenyl)ethanone
CID 89337330
2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone
CID 86043103
[3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone
CID 135018444
2-chloro-6-propan-2-ylbenzene-1,4-diol
CID 170276425
1-[3,5-dichloro-4-(chloromethyl)-2-hydroxyphenyl]ethanone
CID 23350188
1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 171007175
1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone
CID 131292987
1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179
1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 12616793
1-(4-but-3-yn-2-yloxy-2-chlorophenyl)ethanone
CID 106795011
1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone
CID 84786410
1-(5-chloro-4-fluoro-2-hydroxy-3-methylphenyl)ethanone
CID 89425768

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone?
The IUPAC name of 1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone (CID 162249500) is 1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone.
What is the SMILES notation for 1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone?
The canonical SMILES for 1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone is CC(=O)c1cc(O)cc(Cl)c1O.CC(=O)c1cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(Cl)c1O.
What is the InChIKey of 1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone?
The InChIKey is ZXUIZGCNGYWSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClO3Si.C8H7ClO3/c1-10(2)22(11(3)4,12(5)6)21-14-8-15(13(7)19)17(20)16(18)9-14;1-4(10)6-2-5(11)3-7(9)8(6)12/h8-12,20H,1-7H3;2-3,11-12H,1H3.
What are the key properties of 1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone?
1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone has a molecular weight of 529.53 g/mol, XLogP of 7.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone is sourced from PubChem (CID 162249500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).