3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene

C24H18O2 — CID 101244851

IUPAC3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene
SMILESC1=C(c2ccc(C3=Cc4ccccc4OC3)cc2)COc2ccccc21
InChIInChI=1S/C24H18O2/c1-3-7-23-19(5-1)13-21(15-25-23)17-9-11-18(12-10-17)22-14-20-6-2-4-8-24(20)26-16-22/h1-14H,15-16H2
InChIKeySTRCJSQGPYTOEI-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.55
Rot. Bonds2

About 3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene

3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene (PubChem CID 101244851) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene.

Molecular Properties

Compound Name3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene
PubChem CID101244851
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene
SMILESC1=C(c2ccc(C3=Cc4ccccc4OC3)cc2)COc2ccccc21
InChIInChI=1S/C24H18O2/c1-3-7-23-19(5-1)13-21(15-25-23)17-9-11-18(12-10-17)22-14-20-6-2-4-8-24(20)26-16-22/h1-14H,15-16H2
InChIKeySTRCJSQGPYTOEI-UHFFFAOYSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2H-chromen-3-yl)pyridine
CID 10859833
7-methoxy-3-(4-methoxyphenyl)-2H-chromene
CID 58678829
2-benzyl-5-(2H-chromen-3-yl)-1,3,4-oxadiazole
CID 29139838
(1Z,25Z)-9,18-dioxatetracyclo[24.3.1.03,8.019,24]triaconta-1,3,5,7,19,21,23,25-octaen-30-one
CID 177476472
3-methylsulfinyl-2H-chromene
CID 11991260
1-(2H-chromen-3-yl)ethanol
CID 11389708
4-(2H-chromen-3-yl)-2-methylbenzene-1,3-dicarboxylic acid
CID 152699561
3-(4-ethoxyphenyl)-7-methoxy-2H-chromene
CID 54751719
2-(2H-chromen-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 102537173
ethane;3-nitro-2H-chromene
CID 91346584
2-(2H-chromen-3-yl)-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole
CID 129489318
2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
CID 5272646

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene?
The IUPAC name of 3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene (CID 101244851) is 3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene.
What is the SMILES notation for 3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene?
The canonical SMILES for 3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene is C1=C(c2ccc(C3=Cc4ccccc4OC3)cc2)COc2ccccc21.
What is the InChIKey of 3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene?
The InChIKey is STRCJSQGPYTOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c1-3-7-23-19(5-1)13-21(15-25-23)17-9-11-18(12-10-17)22-14-20-6-2-4-8-24(20)26-16-22/h1-14H,15-16H2.
What are the key properties of 3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene?
3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene has a molecular weight of 338.41 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2H-chromen-3-yl)phenyl]-2H-chromene is sourced from PubChem (CID 101244851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).