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

C20H18O3S — CID 90645570

IUPAC(3-hydroxyphenyl)-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]methanone
SMILESCC(C)Oc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1
InChIInChI=1S/C20H18O3S/c1-13(2)23-17-8-4-5-14(12-17)18-9-10-19(24-18)20(22)15-6-3-7-16(21)11-15/h3-13,21H,1-2H3
InChIKeyNSSGWTVHLIFHPL-UHFFFAOYSA-N
MW338.43 g/mol
LogP5.14
Rot. Bonds5

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

(3-hydroxyphenyl)-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]methanone (PubChem CID 90645570) has the molecular formula C20H18O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]methanone
PubChem CID90645570
Molecular FormulaC20H18O3S
Molecular Weight338.43 g/mol
Exact Mass338.10
IUPAC Name(3-hydroxyphenyl)-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]methanone
SMILESCC(C)Oc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1
InChIInChI=1S/C20H18O3S/c1-13(2)23-17-8-4-5-14(12-17)18-9-10-19(24-18)20(22)15-6-3-7-16(21)11-15/h3-13,21H,1-2H3
InChIKeyNSSGWTVHLIFHPL-UHFFFAOYSA-N
XLogP5.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]methanone (CID 90645570) is (3-hydroxyphenyl)-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]methanone is CC(C)Oc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1.
What is the InChIKey of (3-hydroxyphenyl)-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]methanone?
The InChIKey is NSSGWTVHLIFHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3S/c1-13(2)23-17-8-4-5-14(12-17)18-9-10-19(24-18)20(22)15-6-3-7-16(21)11-15/h3-13,21H,1-2H3.
What are the key properties of (3-hydroxyphenyl)-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]methanone?
(3-hydroxyphenyl)-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]methanone has a molecular weight of 338.43 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 90645570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).