(3-methylphenyl)-(5-phenylthiophen-2-yl)methanone

C18H14OS — CID 90683468

IUPAC(3-methylphenyl)-(5-phenylthiophen-2-yl)methanone
SMILESCc1cccc(C(=O)c2ccc(-c3ccccc3)s2)c1
InChIInChI=1S/C18H14OS/c1-13-6-5-9-15(12-13)18(19)17-11-10-16(20-17)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyVEDZCGRDCVCALY-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.95
Rot. Bonds3

About (3-methylphenyl)-(5-phenylthiophen-2-yl)methanone

(3-methylphenyl)-(5-phenylthiophen-2-yl)methanone (PubChem CID 90683468) has the molecular formula C18H14OS and a molecular weight of 278.38 g/mol. Its IUPAC name is (3-methylphenyl)-(5-phenylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(5-phenylthiophen-2-yl)methanone
PubChem CID90683468
Molecular FormulaC18H14OS
Molecular Weight278.38 g/mol
Exact Mass278.08
IUPAC Name(3-methylphenyl)-(5-phenylthiophen-2-yl)methanone
SMILESCc1cccc(C(=O)c2ccc(-c3ccccc3)s2)c1
InChIInChI=1S/C18H14OS/c1-13-6-5-9-15(12-13)18(19)17-11-10-16(20-17)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyVEDZCGRDCVCALY-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(5-phenylthiophen-2-yl)methanone?
The IUPAC name of (3-methylphenyl)-(5-phenylthiophen-2-yl)methanone (CID 90683468) is (3-methylphenyl)-(5-phenylthiophen-2-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(5-phenylthiophen-2-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(5-phenylthiophen-2-yl)methanone is Cc1cccc(C(=O)c2ccc(-c3ccccc3)s2)c1.
What is the InChIKey of (3-methylphenyl)-(5-phenylthiophen-2-yl)methanone?
The InChIKey is VEDZCGRDCVCALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OS/c1-13-6-5-9-15(12-13)18(19)17-11-10-16(20-17)14-7-3-2-4-8-14/h2-12H,1H3.
What are the key properties of (3-methylphenyl)-(5-phenylthiophen-2-yl)methanone?
(3-methylphenyl)-(5-phenylthiophen-2-yl)methanone has a molecular weight of 278.38 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(5-phenylthiophen-2-yl)methanone is sourced from PubChem (CID 90683468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).