(2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one

C17H12O2S — CID 1235172

IUPAC(2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one
SMILESO=c1oc2ccccc2c2c1S[C@H](c1ccccc1)C2
InChIInChI=1S/C17H12O2S/c18-17-16-13(12-8-4-5-9-14(12)19-17)10-15(20-16)11-6-2-1-3-7-11/h1-9,15H,10H2/t15-/m0/s1
InChIKeyGXNFRHRTUKMVEM-HNNXBMFYSA-N
MW280.35 g/mol
LogP4.18
Rot. Bonds1

About (2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one

(2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one (PubChem CID 1235172) has the molecular formula C17H12O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is (2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one.

Molecular Properties

Compound Name(2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one
PubChem CID1235172
Molecular FormulaC17H12O2S
Molecular Weight280.35 g/mol
Exact Mass280.06
IUPAC Name(2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one
SMILESO=c1oc2ccccc2c2c1S[C@H](c1ccccc1)C2
InChIInChI=1S/C17H12O2S/c18-17-16-13(12-8-4-5-9-14(12)19-17)10-15(20-16)11-6-2-1-3-7-11/h1-9,15H,10H2/t15-/m0/s1
InChIKeyGXNFRHRTUKMVEM-HNNXBMFYSA-N
XLogP4.18
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze (2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1,2-dihydrothieno[2,3-c]chromen-4-one
CID 15921865
2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one
CID 15921866
(4-hydroxy-2-oxochromen-3-yl)-phenyliodanium
CID 54735251
1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
CID 13136922
2,4-diphenyl-2H-thiopyrano[3,2-b]chromen-10-one
CID 174839518
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
2-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 141108522
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
3-benzoyl-4-phenylchromen-2-one
CID 629843
(7R,11aR)-7-phenyl-7a,9,10,11a-tetrahydro-7H-chromeno[3,2-c]chromene-6,8,11-trione
CID 101123904
2,2-diphenyl-3H-furo[3,2-c]chromen-4-one
CID 86000557
(2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile
CID 102451654

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one?
The IUPAC name of (2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one (CID 1235172) is (2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one.
What is the SMILES notation for (2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one?
The canonical SMILES for (2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one is O=c1oc2ccccc2c2c1S[C@H](c1ccccc1)C2.
What is the InChIKey of (2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one?
The InChIKey is GXNFRHRTUKMVEM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H12O2S/c18-17-16-13(12-8-4-5-9-14(12)19-17)10-15(20-16)11-6-2-1-3-7-11/h1-9,15H,10H2/t15-/m0/s1.
What are the key properties of (2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one?
(2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one has a molecular weight of 280.35 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-1,2-dihydrothieno[2,3-c]chromen-4-one is sourced from PubChem (CID 1235172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).