(2-benzylphenyl)-thiophen-3-ylmethanone

C18H14OS — CID 125474100

IUPAC(2-benzylphenyl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C18H14OS/c19-18(16-10-11-20-13-16)17-9-5-4-8-15(17)12-14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKeyJILZIYUYFLNOHH-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.57
Rot. Bonds4

About (2-benzylphenyl)-thiophen-3-ylmethanone

(2-benzylphenyl)-thiophen-3-ylmethanone (PubChem CID 125474100) has the molecular formula C18H14OS and a molecular weight of 278.38 g/mol. Its IUPAC name is (2-benzylphenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(2-benzylphenyl)-thiophen-3-ylmethanone
PubChem CID125474100
Molecular FormulaC18H14OS
Molecular Weight278.38 g/mol
Exact Mass278.08
IUPAC Name(2-benzylphenyl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C18H14OS/c19-18(16-10-11-20-13-16)17-9-5-4-8-15(17)12-14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKeyJILZIYUYFLNOHH-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate
CID 72946219
(2-benzylphenyl)-(4-bromophenyl)methanone
CID 141365768
2-amino-3-(thiophene-3-carbonyl)benzoic acid
CID 70497856
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
2-benzyl-1-thiophen-3-ylprop-2-en-1-one
CID 3007420
(2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone
CID 114975244
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 14451235
bis(3-benzyl-2-chlorophenyl)methanone
CID 141224767
1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 159247184
N-(4-phenylbutan-2-yl)thiophene-3-carboxamide
CID 78803823
2-[(thiophen-3-ylamino)methyl]benzoic acid
CID 103255817
2-(2-fluorophenyl)-1-thiophen-3-ylethanone
CID 60799392

Frequently Asked Questions

What is the IUPAC name of (2-benzylphenyl)-thiophen-3-ylmethanone?
The IUPAC name of (2-benzylphenyl)-thiophen-3-ylmethanone (CID 125474100) is (2-benzylphenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (2-benzylphenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (2-benzylphenyl)-thiophen-3-ylmethanone is O=C(c1ccsc1)c1ccccc1Cc1ccccc1.
What is the InChIKey of (2-benzylphenyl)-thiophen-3-ylmethanone?
The InChIKey is JILZIYUYFLNOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OS/c19-18(16-10-11-20-13-16)17-9-5-4-8-15(17)12-14-6-2-1-3-7-14/h1-11,13H,12H2.
What are the key properties of (2-benzylphenyl)-thiophen-3-ylmethanone?
(2-benzylphenyl)-thiophen-3-ylmethanone has a molecular weight of 278.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylphenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 125474100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).