(5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone

C16H12O2S — CID 134835171

IUPAC(5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone
SMILESCc1cc(C(=O)c2cccs2)c(-c2ccccc2)o1
InChIInChI=1S/C16H12O2S/c1-11-10-13(15(17)14-8-5-9-19-14)16(18-11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyIJWUUTFAAYRSCG-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.55
Rot. Bonds3

About (5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone

(5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone (PubChem CID 134835171) has the molecular formula C16H12O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is (5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone
PubChem CID134835171
Molecular FormulaC16H12O2S
Molecular Weight268.34 g/mol
Exact Mass268.06
IUPAC Name(5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone
SMILESCc1cc(C(=O)c2cccs2)c(-c2ccccc2)o1
InChIInChI=1S/C16H12O2S/c1-11-10-13(15(17)14-8-5-9-19-14)16(18-11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyIJWUUTFAAYRSCG-UHFFFAOYSA-N
XLogP4.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
CID 5082064
(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone
CID 82051105
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone
CID 13404184
(5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 9063187
(2-phenyldiazenylphenyl)-thiophen-2-ylmethanone
CID 138980695
CID 11204853
CID 11204853
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058
N-[2-(thiophene-2-carbonyl)phenyl]acetamide
CID 18987253
[4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone
CID 122384316
formaldehyde;thiophene-2-carboxylic acid
CID 158716916

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone?
The IUPAC name of (5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone (CID 134835171) is (5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone is Cc1cc(C(=O)c2cccs2)c(-c2ccccc2)o1.
What is the InChIKey of (5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone?
The InChIKey is IJWUUTFAAYRSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S/c1-11-10-13(15(17)14-8-5-9-19-14)16(18-11)12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of (5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone?
(5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone has a molecular weight of 268.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 134835171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).