bis(5-chloro-2,4-dihydroxyphenyl)methanone

C13H8Cl2O5 — CID 101362885

IUPACbis(5-chloro-2,4-dihydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)c(O)cc1O)c1cc(Cl)c(O)cc1O
InChIInChI=1S/C13H8Cl2O5/c14-7-1-5(9(16)3-11(7)18)13(20)6-2-8(15)12(19)4-10(6)17/h1-4,16-19H
InChIKeyPQEYXHKVDFWZLP-UHFFFAOYSA-N
MW315.11 g/mol
LogP3.05
Rot. Bonds2

About bis(5-chloro-2,4-dihydroxyphenyl)methanone

bis(5-chloro-2,4-dihydroxyphenyl)methanone (PubChem CID 101362885) has the molecular formula C13H8Cl2O5 and a molecular weight of 315.11 g/mol. Its IUPAC name is bis(5-chloro-2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Namebis(5-chloro-2,4-dihydroxyphenyl)methanone
PubChem CID101362885
Molecular FormulaC13H8Cl2O5
Molecular Weight315.11 g/mol
Exact Mass313.97
IUPAC Namebis(5-chloro-2,4-dihydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)c(O)cc1O)c1cc(Cl)c(O)cc1O
InChIInChI=1S/C13H8Cl2O5/c14-7-1-5(9(16)3-11(7)18)13(20)6-2-8(15)12(19)4-10(6)17/h1-4,16-19H
InChIKeyPQEYXHKVDFWZLP-UHFFFAOYSA-N
XLogP3.05
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone
CID 151443573
2-(5-chloro-4-hydroxy-2-methylphenyl)-2-oxoacetic acid
CID 117305831
2-bromo-5-chloro-4-hydroxybenzoic acid
CID 131397859
(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone
CID 70624009
1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone
CID 66701045
(5-chloro-2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 162345424
1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone
CID 171008729
7-chloro-3,6-dihydroxynaphthalene-2-carboxamide
CID 121473408
N-benzyl-5-chloro-2,4-dihydroxybenzamide
CID 137440573
(2-amino-5-chloro-4-hydroxyphenyl)-(4-hydroxyphenyl)methanone
CID 126962380
(5-chloro-2-hydroxy-4-methoxyphenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone
CID 162345540
ethyl 2-(5-chloro-4-hydroxy-2-methylphenyl)-2-oxoacetate
CID 117358575

Frequently Asked Questions

What is the IUPAC name of bis(5-chloro-2,4-dihydroxyphenyl)methanone?
The IUPAC name of bis(5-chloro-2,4-dihydroxyphenyl)methanone (CID 101362885) is bis(5-chloro-2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for bis(5-chloro-2,4-dihydroxyphenyl)methanone?
The canonical SMILES for bis(5-chloro-2,4-dihydroxyphenyl)methanone is O=C(c1cc(Cl)c(O)cc1O)c1cc(Cl)c(O)cc1O.
What is the InChIKey of bis(5-chloro-2,4-dihydroxyphenyl)methanone?
The InChIKey is PQEYXHKVDFWZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O5/c14-7-1-5(9(16)3-11(7)18)13(20)6-2-8(15)12(19)4-10(6)17/h1-4,16-19H.
What are the key properties of bis(5-chloro-2,4-dihydroxyphenyl)methanone?
bis(5-chloro-2,4-dihydroxyphenyl)methanone has a molecular weight of 315.11 g/mol, XLogP of 3.05, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-chloro-2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 101362885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).