(6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone

C18H11Cl2FO3S — CID 170400152

IUPAC(6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone
SMILESCc1cc(-c2ccc(C(=O)c3c(Cl)ccc(O)c3F)s2)cc(Cl)c1O
InChIInChI=1S/C18H11Cl2FO3S/c1-8-6-9(7-11(20)17(8)23)13-4-5-14(25-13)18(24)15-10(19)2-3-12(22)16(15)21/h2-7,22-23H,1H3
InChIKeyBWAKWWAPJWTSJU-UHFFFAOYSA-N
MW397.25 g/mol
LogP5.81
Rot. Bonds3

About (6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone

(6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone (PubChem CID 170400152) has the molecular formula C18H11Cl2FO3S and a molecular weight of 397.25 g/mol. Its IUPAC name is (6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone
PubChem CID170400152
Molecular FormulaC18H11Cl2FO3S
Molecular Weight397.25 g/mol
Exact Mass395.98
IUPAC Name(6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone
SMILESCc1cc(-c2ccc(C(=O)c3c(Cl)ccc(O)c3F)s2)cc(Cl)c1O
InChIInChI=1S/C18H11Cl2FO3S/c1-8-6-9(7-11(20)17(8)23)13-4-5-14(25-13)18(24)15-10(19)2-3-12(22)16(15)21/h2-7,22-23H,1H3
InChIKeyBWAKWWAPJWTSJU-UHFFFAOYSA-N
XLogP5.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.25
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone with MolForge

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Related Compounds

[5-[3-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-5-chloro-4-hydroxyphenyl]thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 144878287
(4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone
CID 122660682
[5-(3-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652921
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
CID 62813066
(4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone
CID 123965479
[3-[5-(4-fluorophenyl)thiophene-2-carbonyl]-4-methylphenyl]iodanium
CID 152894435
[4-[5-(5-bromothiophen-2-yl)thiophene-2-carbonyl]-2,3,5,6-tetrafluorophenyl]-[5-(5-bromothiophen-2-yl)thiophen-2-yl]methanone
CID 101372333
1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanone
CID 79050472
[5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122653018
2-chloro-1-(6-chloro-2-fluoro-3-methylphenyl)ethanone
CID 130775413
(3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763206
2-chloro-5-(4-hydroxy-3-methylphenyl)benzoic acid
CID 53219128

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone?
The IUPAC name of (6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone (CID 170400152) is (6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone.
What is the SMILES notation for (6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone?
The canonical SMILES for (6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone is Cc1cc(-c2ccc(C(=O)c3c(Cl)ccc(O)c3F)s2)cc(Cl)c1O.
What is the InChIKey of (6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone?
The InChIKey is BWAKWWAPJWTSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2FO3S/c1-8-6-9(7-11(20)17(8)23)13-4-5-14(25-13)18(24)15-10(19)2-3-12(22)16(15)21/h2-7,22-23H,1H3.
What are the key properties of (6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone?
(6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone has a molecular weight of 397.25 g/mol, XLogP of 5.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-fluoro-3-hydroxyphenyl)-[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 170400152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).