(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone

C18H16O2S — CID 105134314

IUPAC(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)C1CSc2ccccc21
InChIInChI=1S/C18H16O2S/c19-18(16-11-21-17-4-2-1-3-15(16)17)12-5-7-13(8-6-12)20-14-9-10-14/h1-8,14,16H,9-11H2
InChIKeyBAMOBCBYCDRKLM-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.30
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone

(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone (PubChem CID 105134314) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
PubChem CID105134314
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)C1CSc2ccccc21
InChIInChI=1S/C18H16O2S/c19-18(16-11-21-17-4-2-1-3-15(16)17)12-5-7-13(8-6-12)20-14-9-10-14/h1-8,14,16H,9-11H2
InChIKeyBAMOBCBYCDRKLM-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophen-3-yl-(3,4-dimethoxyphenyl)methanone
CID 105094308
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105131461
(2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105100893
cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105107396
2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone
CID 105079264
2,3-dihydro-1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methanone
CID 105097775
methyl (3R)-2,3-dihydro-1-benzothiophene-3-carboxylate
CID 92859901
7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone
CID 115812900
(4-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
CID 114518933
(4-cyclopropyloxyphenyl)-(thian-2-yl)methanone
CID 114518934
2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone
CID 105080984

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone (CID 105134314) is (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone is O=C(c1ccc(OC2CC2)cc1)C1CSc2ccccc21.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
The InChIKey is BAMOBCBYCDRKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c19-18(16-11-21-17-4-2-1-3-15(16)17)12-5-7-13(8-6-12)20-14-9-10-14/h1-8,14,16H,9-11H2.
What are the key properties of (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone?
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone has a molecular weight of 296.39 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 105134314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).