(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone

C19H14O3S — CID 71619058

IUPAC(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccccc2C(=O)c2cccs2)cc1
InChIInChI=1S/C19H14O3S/c1-22-14-10-8-13(9-11-14)18(20)15-5-2-3-6-16(15)19(21)17-7-4-12-23-17/h2-12H,1H3
InChIKeyADNYSAOUZFIKRD-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.22
Rot. Bonds5

About (4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone

(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone (PubChem CID 71619058) has the molecular formula C19H14O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
PubChem CID71619058
Molecular FormulaC19H14O3S
Molecular Weight322.39 g/mol
Exact Mass322.07
IUPAC Name(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccccc2C(=O)c2cccs2)cc1
InChIInChI=1S/C19H14O3S/c1-22-14-10-8-13(9-11-14)18(20)15-5-2-3-6-16(15)19(21)17-7-4-12-23-17/h2-12H,1H3
InChIKeyADNYSAOUZFIKRD-UHFFFAOYSA-N
XLogP4.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
CID 5082064
2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 154168626
(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone
CID 82051105
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
2-benzoyl-N'-(4-methoxybenzoyl)benzohydrazide
CID 585519
(2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate
CID 18151557
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 116628410
(2-ethenylphenyl)-(4-methoxyphenyl)methanone
CID 134346906

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone (CID 71619058) is (4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone is COc1ccc(C(=O)c2ccccc2C(=O)c2cccs2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone?
The InChIKey is ADNYSAOUZFIKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3S/c1-22-14-10-8-13(9-11-14)18(20)15-5-2-3-6-16(15)19(21)17-7-4-12-23-17/h2-12H,1H3.
What are the key properties of (4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone?
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone has a molecular weight of 322.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone is sourced from PubChem (CID 71619058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).