(4-benzylphenyl)-(4-methylthiophen-3-yl)methanone

C19H16OS — CID 79812478

IUPAC(4-benzylphenyl)-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H16OS/c1-14-12-21-13-18(14)19(20)17-9-7-16(8-10-17)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3
InChIKeySNDWHYDIVVWNDA-UHFFFAOYSA-N
MW292.40 g/mol
LogP4.88
Rot. Bonds4

About (4-benzylphenyl)-(4-methylthiophen-3-yl)methanone

(4-benzylphenyl)-(4-methylthiophen-3-yl)methanone (PubChem CID 79812478) has the molecular formula C19H16OS and a molecular weight of 292.40 g/mol. Its IUPAC name is (4-benzylphenyl)-(4-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylphenyl)-(4-methylthiophen-3-yl)methanone
PubChem CID79812478
Molecular FormulaC19H16OS
Molecular Weight292.40 g/mol
Exact Mass292.09
IUPAC Name(4-benzylphenyl)-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C19H16OS/c1-14-12-21-13-18(14)19(20)17-9-7-16(8-10-17)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3
InChIKeySNDWHYDIVVWNDA-UHFFFAOYSA-N
XLogP4.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-(4-methylthiophen-3-yl)methanone
CID 79803234
(4-chlorophenyl)-(4-methylthiophen-3-yl)methanone
CID 79803147
(4-bromophenyl)-(4-methylthiophen-3-yl)methanone
CID 79803148
1,2-bis(4-benzylphenyl)ethane-1,2-dione
CID 141311981
N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide
CID 79802964
4-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 79802947
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone
CID 79803189
(4-benzyl-2-hydroxyphenyl)-phenylmethanone
CID 135369978
[4-(hydroperoxymethyl)phenyl]-phenylmethanone
CID 140726155
phenyl-(4-phenylthiophen-3-yl)methanone
CID 10730343
3-[(4-benzylphenyl)-chloromethyl]-4-methylthiophene
CID 79809014

Frequently Asked Questions

What is the IUPAC name of (4-benzylphenyl)-(4-methylthiophen-3-yl)methanone?
The IUPAC name of (4-benzylphenyl)-(4-methylthiophen-3-yl)methanone (CID 79812478) is (4-benzylphenyl)-(4-methylthiophen-3-yl)methanone.
What is the SMILES notation for (4-benzylphenyl)-(4-methylthiophen-3-yl)methanone?
The canonical SMILES for (4-benzylphenyl)-(4-methylthiophen-3-yl)methanone is Cc1cscc1C(=O)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of (4-benzylphenyl)-(4-methylthiophen-3-yl)methanone?
The InChIKey is SNDWHYDIVVWNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OS/c1-14-12-21-13-18(14)19(20)17-9-7-16(8-10-17)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3.
What are the key properties of (4-benzylphenyl)-(4-methylthiophen-3-yl)methanone?
(4-benzylphenyl)-(4-methylthiophen-3-yl)methanone has a molecular weight of 292.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylphenyl)-(4-methylthiophen-3-yl)methanone is sourced from PubChem (CID 79812478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).