(4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone

C19H18O2S — CID 134132855

IUPAC(4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone
SMILESCCCc1sc2ccccc2c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H18O2S/c1-3-6-17-18(15-7-4-5-8-16(15)22-17)19(20)13-9-11-14(21-2)12-10-13/h4-5,7-12H,3,6H2,1-2H3
InChIKeyNMDJLDALLMDAOQ-UHFFFAOYSA-N
MW310.42 g/mol
LogP5.09
Rot. Bonds5

About (4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone

(4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone (PubChem CID 134132855) has the molecular formula C19H18O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone
PubChem CID134132855
Molecular FormulaC19H18O2S
Molecular Weight310.42 g/mol
Exact Mass310.10
IUPAC Name(4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone
SMILESCCCc1sc2ccccc2c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H18O2S/c1-3-6-17-18(15-7-4-5-8-16(15)22-17)19(20)13-9-11-14(21-2)12-10-13/h4-5,7-12H,3,6H2,1-2H3
InChIKeyNMDJLDALLMDAOQ-UHFFFAOYSA-N
XLogP5.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone (CID 134132855) is (4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone is CCCc1sc2ccccc2c1C(=O)c1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone?
The InChIKey is NMDJLDALLMDAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2S/c1-3-6-17-18(15-7-4-5-8-16(15)22-17)19(20)13-9-11-14(21-2)12-10-13/h4-5,7-12H,3,6H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone?
(4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone has a molecular weight of 310.42 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-propyl-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 134132855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).