(4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone

C16H12O3S — CID 154359392

IUPAC(4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3ccc(O)cc3)sc2c1
InChIInChI=1S/C16H12O3S/c1-19-13-7-4-11-8-15(20-14(11)9-13)16(18)10-2-5-12(17)6-3-10/h2-9,17H,1H3
InChIKeyUONJNLZJEXPGLY-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.85
Rot. Bonds3

About (4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone

(4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone (PubChem CID 154359392) has the molecular formula C16H12O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is (4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone
PubChem CID154359392
Molecular FormulaC16H12O3S
Molecular Weight284.34 g/mol
Exact Mass284.05
IUPAC Name(4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3ccc(O)cc3)sc2c1
InChIInChI=1S/C16H12O3S/c1-19-13-7-4-11-8-15(20-14(11)9-13)16(18)10-2-5-12(17)6-3-10/h2-9,17H,1H3
InChIKeyUONJNLZJEXPGLY-UHFFFAOYSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone?
The IUPAC name of (4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone (CID 154359392) is (4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone is COc1ccc2cc(C(=O)c3ccc(O)cc3)sc2c1.
What is the InChIKey of (4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone?
The InChIKey is UONJNLZJEXPGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3S/c1-19-13-7-4-11-8-15(20-14(11)9-13)16(18)10-2-5-12(17)6-3-10/h2-9,17H,1H3.
What are the key properties of (4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone?
(4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone has a molecular weight of 284.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 154359392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).