[5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone

C19H16O3S — CID 56928870

IUPAC[5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone
SMILESCCOc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1
InChIInChI=1S/C19H16O3S/c1-2-22-16-8-4-5-13(12-16)17-9-10-18(23-17)19(21)14-6-3-7-15(20)11-14/h3-12,20H,2H2,1H3
InChIKeyNRWYNZCPPPXSSZ-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.75
Rot. Bonds5

About [5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone

[5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone (PubChem CID 56928870) has the molecular formula C19H16O3S and a molecular weight of 324.40 g/mol. Its IUPAC name is [5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone
PubChem CID56928870
Molecular FormulaC19H16O3S
Molecular Weight324.40 g/mol
Exact Mass324.08
IUPAC Name[5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone
SMILESCCOc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1
InChIInChI=1S/C19H16O3S/c1-2-22-16-8-4-5-13(12-16)17-9-10-18(23-17)19(21)14-6-3-7-15(20)11-14/h3-12,20H,2H2,1H3
InChIKeyNRWYNZCPPPXSSZ-UHFFFAOYSA-N
XLogP4.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone (CID 56928870) is [5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone is CCOc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1.
What is the InChIKey of [5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is NRWYNZCPPPXSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S/c1-2-22-16-8-4-5-13(12-16)17-9-10-18(23-17)19(21)14-6-3-7-15(20)11-14/h3-12,20H,2H2,1H3.
What are the key properties of [5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone?
[5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone has a molecular weight of 324.40 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethoxyphenyl)thiophen-2-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 56928870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).