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

C18H11ClF2O3S — CID 122652974

IUPAC[5-(3-chloro-2-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESCOc1c(Cl)cccc1-c1ccc(C(=O)c2c(F)ccc(O)c2F)s1
InChIInChI=1S/C18H11ClF2O3S/c1-24-18-9(3-2-4-10(18)19)13-7-8-14(25-13)17(23)15-11(20)5-6-12(22)16(15)21/h2-8,22H,1H3
InChIKeyYWEDTPAXGGTVBN-UHFFFAOYSA-N
MW380.80 g/mol
LogP5.29
Rot. Bonds4

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

[5-(3-chloro-2-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone (PubChem CID 122652974) has the molecular formula C18H11ClF2O3S and a molecular weight of 380.80 g/mol. Its IUPAC name is [5-(3-chloro-2-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(3-chloro-2-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
PubChem CID122652974
Molecular FormulaC18H11ClF2O3S
Molecular Weight380.80 g/mol
Exact Mass380.01
IUPAC Name[5-(3-chloro-2-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
SMILESCOc1c(Cl)cccc1-c1ccc(C(=O)c2c(F)ccc(O)c2F)s1
InChIInChI=1S/C18H11ClF2O3S/c1-24-18-9(3-2-4-10(18)19)13-7-8-14(25-13)17(23)15-11(20)5-6-12(22)16(15)21/h2-8,22H,1H3
InChIKeyYWEDTPAXGGTVBN-UHFFFAOYSA-N
XLogP5.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.80
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-2-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-(3-chloro-2-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone (CID 122652974) is [5-(3-chloro-2-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(3-chloro-2-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(3-chloro-2-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone is COc1c(Cl)cccc1-c1ccc(C(=O)c2c(F)ccc(O)c2F)s1.
What is the InChIKey of [5-(3-chloro-2-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
The InChIKey is YWEDTPAXGGTVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2O3S/c1-24-18-9(3-2-4-10(18)19)13-7-8-14(25-13)17(23)15-11(20)5-6-12(22)16(15)21/h2-8,22H,1H3.
What are the key properties of [5-(3-chloro-2-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone?
[5-(3-chloro-2-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone has a molecular weight of 380.80 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-2-methoxyphenyl)thiophen-2-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122652974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).