(4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone

C22H20F2O2S — CID 122660682

IUPAC(4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone
SMILESCOc1c(C)c(C(=O)c2ccc(-c3cc(C)c(C)c(C)c3)s2)cc(F)c1F
InChIInChI=1S/C22H20F2O2S/c1-11-8-15(9-12(2)13(11)3)18-6-7-19(27-18)21(25)16-10-17(23)20(24)22(26-5)14(16)4/h6-10H,1-5H3
InChIKeyYLSGINLVTLQPRE-UHFFFAOYSA-N
MW386.46 g/mol
LogP6.17
Rot. Bonds4

About (4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone

(4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone (PubChem CID 122660682) has the molecular formula C22H20F2O2S and a molecular weight of 386.46 g/mol. Its IUPAC name is (4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone
PubChem CID122660682
Molecular FormulaC22H20F2O2S
Molecular Weight386.46 g/mol
Exact Mass386.12
IUPAC Name(4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone
SMILESCOc1c(C)c(C(=O)c2ccc(-c3cc(C)c(C)c(C)c3)s2)cc(F)c1F
InChIInChI=1S/C22H20F2O2S/c1-11-8-15(9-12(2)13(11)3)18-6-7-19(27-18)21(25)16-10-17(23)20(24)22(26-5)14(16)4/h6-10H,1-5H3
InChIKeyYLSGINLVTLQPRE-UHFFFAOYSA-N
XLogP6.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone?
The IUPAC name of (4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone (CID 122660682) is (4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone.
What is the SMILES notation for (4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone?
The canonical SMILES for (4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone is COc1c(C)c(C(=O)c2ccc(-c3cc(C)c(C)c(C)c3)s2)cc(F)c1F.
What is the InChIKey of (4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone?
The InChIKey is YLSGINLVTLQPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2O2S/c1-11-8-15(9-12(2)13(11)3)18-6-7-19(27-18)21(25)16-10-17(23)20(24)22(26-5)14(16)4/h6-10H,1-5H3.
What are the key properties of (4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone?
(4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-difluoro-3-methoxy-2-methylphenyl)-[5-(3,4,5-trimethylphenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 122660682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).