3-(4-chlorophenyl)thiochromen-2-one

C15H9ClOS — CID 134101391

IUPAC3-(4-chlorophenyl)thiochromen-2-one
SMILESO=c1sc2ccccc2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClOS/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H
InChIKeyKKUNXBQPZNZXMN-UHFFFAOYSA-N
MW272.76 g/mol
LogP4.58
Rot. Bonds1

About 3-(4-chlorophenyl)thiochromen-2-one

3-(4-chlorophenyl)thiochromen-2-one (PubChem CID 134101391) has the molecular formula C15H9ClOS and a molecular weight of 272.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)thiochromen-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)thiochromen-2-one
PubChem CID134101391
Molecular FormulaC15H9ClOS
Molecular Weight272.76 g/mol
Exact Mass272.01
IUPAC Name3-(4-chlorophenyl)thiochromen-2-one
SMILESO=c1sc2ccccc2cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClOS/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H
InChIKeyKKUNXBQPZNZXMN-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)thiopyrano[2,3-b]pyridin-2-one
CID 817895
3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one
CID 67007318
9-(4-chlorophenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177100193
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173
2-oxothiochromene-3-carbonitrile
CID 102371512
3-(4-chlorophenyl)-2-methylchromenylium
CID 21312470
1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol
CID 114910893
4-(4-chlorophenyl)pyrrolo[1,2-a]quinoline
CID 42612557
(3E)-6-(1-benzothiophen-2-yl)-3-[6-(1-benzothiophen-2-yl)-2-oxo-1H-indol-3-ylidene]-1H-indol-2-one
CID 102341075
3-[[5-(4-chlorophenyl)-1-phenylpyrazolidin-3-ylidene]amino]thiochromen-2-one
CID 156598685
4-(4-chlorophenyl)pyrimido[2,1-b][1,3]benzothiazol-2-one
CID 70494305
4-[9-(4-chlorophenyl)dibenzothiophen-4-yl]-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145430454

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)thiochromen-2-one?
The IUPAC name of 3-(4-chlorophenyl)thiochromen-2-one (CID 134101391) is 3-(4-chlorophenyl)thiochromen-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)thiochromen-2-one?
The canonical SMILES for 3-(4-chlorophenyl)thiochromen-2-one is O=c1sc2ccccc2cc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)thiochromen-2-one?
The InChIKey is KKUNXBQPZNZXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClOS/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H.
What are the key properties of 3-(4-chlorophenyl)thiochromen-2-one?
3-(4-chlorophenyl)thiochromen-2-one has a molecular weight of 272.76 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)thiochromen-2-one is sourced from PubChem (CID 134101391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).