1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone

C15H10O2S — CID 118714408

IUPAC1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)c1cc2ccccc2s1
InChIInChI=1S/C15H10O2S/c16-12-6-3-5-11(8-12)15(17)14-9-10-4-1-2-7-13(10)18-14/h1-9,16H
InChIKeyWLXWQXZWLQALIA-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.84
Rot. Bonds2

About 1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone

1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone (PubChem CID 118714408) has the molecular formula C15H10O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone
PubChem CID118714408
Molecular FormulaC15H10O2S
Molecular Weight254.31 g/mol
Exact Mass254.04
IUPAC Name1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)c1cc2ccccc2s1
InChIInChI=1S/C15H10O2S/c16-12-6-3-5-11(8-12)15(17)14-9-10-4-1-2-7-13(10)18-14/h1-9,16H
InChIKeyWLXWQXZWLQALIA-UHFFFAOYSA-N
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
bis(1-benzothiophen-2-yl)methanone
CID 5330534
1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone
CID 115791389
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
1-benzothiophen-2-yl(quinolin-6-yl)methanone
CID 115790588
1-benzothiophen-2-yl(furan-3-yl)methanone
CID 71739499
1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone
CID 114976116
1-benzothiophen-2-yl(quinolin-7-yl)methanone
CID 115791003
4-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 61406648
benzamide;1-benzothiophene-2-carboxylic acid
CID 158859851
1-benzothiophen-2-yl-(1-methylpyrazol-4-yl)methanone
CID 114963979
(1-benzothiophene-2-carbonylamino)urea
CID 57488392

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone (CID 118714408) is 1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone is O=C(c1cccc(O)c1)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone?
The InChIKey is WLXWQXZWLQALIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2S/c16-12-6-3-5-11(8-12)15(17)14-9-10-4-1-2-7-13(10)18-14/h1-9,16H.
What are the key properties of 1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone?
1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone has a molecular weight of 254.31 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 118714408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).