1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one

C17H16Cl2O3 — CID 174781443

IUPAC1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one
SMILESO=C(CCc1ccc(Cl)cc1O)CCc1ccc(Cl)cc1O
InChIInChI=1S/C17H16Cl2O3/c18-13-5-1-11(16(21)9-13)3-7-15(20)8-4-12-2-6-14(19)10-17(12)22/h1-2,5-6,9-10,21-22H,3-4,7-8H2
InChIKeyARJZEOHDBFYBKZ-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.54
Rot. Bonds6

About 1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one

1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one (PubChem CID 174781443) has the molecular formula C17H16Cl2O3 and a molecular weight of 339.22 g/mol. Its IUPAC name is 1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one
PubChem CID174781443
Molecular FormulaC17H16Cl2O3
Molecular Weight339.22 g/mol
Exact Mass338.05
IUPAC Name1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one
SMILESO=C(CCc1ccc(Cl)cc1O)CCc1ccc(Cl)cc1O
InChIInChI=1S/C17H16Cl2O3/c18-13-5-1-11(16(21)9-13)3-7-15(20)8-4-12-2-6-14(19)10-17(12)22/h1-2,5-6,9-10,21-22H,3-4,7-8H2
InChIKeyARJZEOHDBFYBKZ-UHFFFAOYSA-N
XLogP4.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 118836469
1-chloro-4-(2,4-dichlorophenyl)butan-2-one
CID 20507775
3-[2-(carboxymethyl)-5-chlorophenyl]propanoic acid
CID 118836350
5-chloro-2-dodecylphenol
CID 102279992
1-(5-chloro-2-fluorophenyl)-5-methylhexan-3-one
CID 103047172
4-(7-chloro-3-hydroxynaphthalen-2-yl)butanoic acid
CID 117416110
1,5-bis[5-chloro-2-(trifluoromethoxy)phenyl]pentan-3-one
CID 175245898
1,5-bis(2,5-dihydroxyphenyl)pentan-3-one
CID 141060265
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid
CID 131365879
methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
5-chloro-2-(isocyanatomethyl)phenol
CID 117279668

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one?
The IUPAC name of 1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one (CID 174781443) is 1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one.
What is the SMILES notation for 1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one?
The canonical SMILES for 1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one is O=C(CCc1ccc(Cl)cc1O)CCc1ccc(Cl)cc1O.
What is the InChIKey of 1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one?
The InChIKey is ARJZEOHDBFYBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O3/c18-13-5-1-11(16(21)9-13)3-7-15(20)8-4-12-2-6-14(19)10-17(12)22/h1-2,5-6,9-10,21-22H,3-4,7-8H2.
What are the key properties of 1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one?
1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one has a molecular weight of 339.22 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-chloro-2-hydroxyphenyl)pentan-3-one is sourced from PubChem (CID 174781443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).