1-(2-methylthiophen-3-yl)-2,2-diphenylethanone

C19H16OS — CID 102830616

IUPAC1-(2-methylthiophen-3-yl)-2,2-diphenylethanone
SMILESCc1sccc1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16OS/c1-14-17(12-13-21-14)19(20)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18H,1H3
InChIKeyXPBPCMLZBWDKJA-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.07
Rot. Bonds4

About 1-(2-methylthiophen-3-yl)-2,2-diphenylethanone

1-(2-methylthiophen-3-yl)-2,2-diphenylethanone (PubChem CID 102830616) has the molecular formula C19H16OS and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)-2,2-diphenylethanone.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)-2,2-diphenylethanone
PubChem CID102830616
Molecular FormulaC19H16OS
Molecular Weight292.40 g/mol
Exact Mass292.09
IUPAC Name1-(2-methylthiophen-3-yl)-2,2-diphenylethanone
SMILESCc1sccc1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16OS/c1-14-17(12-13-21-14)19(20)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18H,1H3
InChIKeyXPBPCMLZBWDKJA-UHFFFAOYSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylthiophen-3-yl)-2-propylpentan-1-one
CID 102839853
2-ethoxy-1-(2-methylthiophen-3-yl)butan-1-one
CID 102831100
methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate
CID 7166897
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
2-ethoxy-1-(2-methylthiophen-3-yl)pentan-1-one
CID 102831102
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
1-(5-methylfuran-2-yl)-2,2-diphenylethanone
CID 125472505
(2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone
CID 102830634
ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 7167159
(2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102839866
2-phenyl-2-(1,3-thiazol-2-yl)acetic acid
CID 115006319
3-acetylthiophene-2-carboxylic acid
CID 818927

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)-2,2-diphenylethanone?
The IUPAC name of 1-(2-methylthiophen-3-yl)-2,2-diphenylethanone (CID 102830616) is 1-(2-methylthiophen-3-yl)-2,2-diphenylethanone.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)-2,2-diphenylethanone?
The canonical SMILES for 1-(2-methylthiophen-3-yl)-2,2-diphenylethanone is Cc1sccc1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-methylthiophen-3-yl)-2,2-diphenylethanone?
The InChIKey is XPBPCMLZBWDKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OS/c1-14-17(12-13-21-14)19(20)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18H,1H3.
What are the key properties of 1-(2-methylthiophen-3-yl)-2,2-diphenylethanone?
1-(2-methylthiophen-3-yl)-2,2-diphenylethanone has a molecular weight of 292.40 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiophen-3-yl)-2,2-diphenylethanone is sourced from PubChem (CID 102830616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).