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

C18H11ClF2O3S — CID 91820627

IUPAC[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESCc1cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc(Cl)c1O
InChIInChI=1S/C18H11ClF2O3S/c1-8-6-9(7-10(19)17(8)23)13-4-5-14(25-13)18(24)15-11(20)2-3-12(22)16(15)21/h2-7,22-23H,1H3
InChIKeyNBPPEXVETXEPTG-UHFFFAOYSA-N
MW380.80 g/mol
LogP5.30
Rot. Bonds3

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

[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone (PubChem CID 91820627) has the molecular formula C18H11ClF2O3S and a molecular weight of 380.80 g/mol. Its IUPAC name is [5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
PubChem CID91820627
Molecular FormulaC18H11ClF2O3S
Molecular Weight380.80 g/mol
Exact Mass380.01
IUPAC Name[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESCc1cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc(Cl)c1O
InChIInChI=1S/C18H11ClF2O3S/c1-8-6-9(7-10(19)17(8)23)13-4-5-14(25-13)18(24)15-11(20)2-3-12(22)16(15)21/h2-7,22-23H,1H3
InChIKeyNBPPEXVETXEPTG-UHFFFAOYSA-N
XLogP5.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.80
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-Chloro-2-fluoro-3-hydroxyphenyl)-[5-(3,5-dichloro-4-methoxyphenyl)thiophen-2-yl]methanone
CID 122652894
[5-(3,5-Dichloro-4-methoxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652898
[5-(4-Hydroxy-3,5-dimethylphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652933
[5-(3-Chloro-4-methoxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122652936
(2,6-Difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone
CID 122652946
[5-(4-Hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652962
[5-(3,5-Dichloro-4-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122652998
[5-(3-Chloro-4-hydroxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 122653002
[5-(2-Hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122653018
(4-Fluoro-3-hydroxyphenyl)(5-(4-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840065
[5-(4-Hydroxy-3-methylphenyl)-2-thienyl](3-hydroxyphenyl)-methanone
CID 49840134
[5-(3-Fluoro-4-hydroxyphenyl)-2-thienyl](3-hydroxyphenyl)-methanone
CID 49840135

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone (CID 91820627) is [5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone is Cc1cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc(Cl)c1O.
What is the InChIKey of [5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The InChIKey is NBPPEXVETXEPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2O3S/c1-8-6-9(7-10(19)17(8)23)13-4-5-14(25-13)18(24)15-11(20)2-3-12(22)16(15)21/h2-7,22-23H,1H3.
What are the key properties of [5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
[5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone has a molecular weight of 380.80 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-hydroxy-5-methylphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 91820627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).