(5-ethylthiophen-2-yl)-(3-propylphenyl)methanone

C16H18OS — CID 115812121

IUPAC(5-ethylthiophen-2-yl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2ccc(CC)s2)c1
InChIInChI=1S/C16H18OS/c1-3-6-12-7-5-8-13(11-12)16(17)15-10-9-14(4-2)18-15/h5,7-11H,3-4,6H2,1-2H3
InChIKeyNMTDNFNZIPZMRU-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.49
Rot. Bonds5

About (5-ethylthiophen-2-yl)-(3-propylphenyl)methanone

(5-ethylthiophen-2-yl)-(3-propylphenyl)methanone (PubChem CID 115812121) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(3-propylphenyl)methanone
PubChem CID115812121
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name(5-ethylthiophen-2-yl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2ccc(CC)s2)c1
InChIInChI=1S/C16H18OS/c1-3-6-12-7-5-8-13(11-12)16(17)15-10-9-14(4-2)18-15/h5,7-11H,3-4,6H2,1-2H3
InChIKeyNMTDNFNZIPZMRU-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(3-propylphenyl)methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-(3-propylphenyl)methanone (CID 115812121) is (5-ethylthiophen-2-yl)-(3-propylphenyl)methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(3-propylphenyl)methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)c2ccc(CC)s2)c1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(3-propylphenyl)methanone?
The InChIKey is NMTDNFNZIPZMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-3-6-12-7-5-8-13(11-12)16(17)15-10-9-14(4-2)18-15/h5,7-11H,3-4,6H2,1-2H3.
What are the key properties of (5-ethylthiophen-2-yl)-(3-propylphenyl)methanone?
(5-ethylthiophen-2-yl)-(3-propylphenyl)methanone has a molecular weight of 258.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(3-propylphenyl)methanone is sourced from PubChem (CID 115812121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).