2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform

C25H20Cl3F3O3S — CID 139048437

IUPAC2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform
SMILESCOc1ccccc1C1(c2ccccc2OC)C=C(SC(F)(F)F)c2ccccc2O1.ClC(Cl)Cl
InChIInChI=1S/C24H19F3O3S.CHCl3/c1-28-20-13-7-4-10-17(20)23(18-11-5-8-14-21(18)29-2)15-22(31-24(25,26)27)16-9-3-6-12-19(16)30-23;2-1(3)4/h3-15H,1-2H3;1H
InChIKeyGJCPVUOXGXBNRS-UHFFFAOYSA-N
MW563.85 g/mol
LogP8.62
Rot. Bonds5

About 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform

2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform (PubChem CID 139048437) has the molecular formula C25H20Cl3F3O3S and a molecular weight of 563.85 g/mol. Its IUPAC name is 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform.

Molecular Properties

Compound Name2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform
PubChem CID139048437
Molecular FormulaC25H20Cl3F3O3S
Molecular Weight563.85 g/mol
Exact Mass562.02
IUPAC Name2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform
SMILESCOc1ccccc1C1(c2ccccc2OC)C=C(SC(F)(F)F)c2ccccc2O1.ClC(Cl)Cl
InChIInChI=1S/C24H19F3O3S.CHCl3/c1-28-20-13-7-4-10-17(20)23(18-11-5-8-14-21(18)29-2)15-22(31-24(25,26)27)16-9-3-6-12-19(16)30-23;2-1(3)4/h3-15H,1-2H3;1H
InChIKeyGJCPVUOXGXBNRS-UHFFFAOYSA-N
XLogP8.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.85
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-Diphenyl-4-(trifluoromethylsulfanyl)chromene
CID 139048433
1-Methoxy-4-[3-(4-phenoxyphenyl)-2-(trifluoromethylsulfanyl)cyclohexa-1,3-dien-1-yl]benzene
CID 173189732
9-Methoxy-9-(2-methoxyphenyl)-9H-xanthene
CID 123833569
2,2-Diphenyl-4-(trifluoromethylsulfanyl)chromene
CID 132554954
2,2-Bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene
CID 139048438
4-methylsulfanyl-3-phenyl-7-phenylmethoxy-2H-chromene
CID 12073871
5-Methoxy-2,2-diphenylchromene
CID 60154441

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform?
The IUPAC name of 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform (CID 139048437) is 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform.
What is the SMILES notation for 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform?
The canonical SMILES for 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform is COc1ccccc1C1(c2ccccc2OC)C=C(SC(F)(F)F)c2ccccc2O1.ClC(Cl)Cl.
What is the InChIKey of 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform?
The InChIKey is GJCPVUOXGXBNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3O3S.CHCl3/c1-28-20-13-7-4-10-17(20)23(18-11-5-8-14-21(18)29-2)15-22(31-24(25,26)27)16-9-3-6-12-19(16)30-23;2-1(3)4/h3-15H,1-2H3;1H.
What are the key properties of 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform?
2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform has a molecular weight of 563.85 g/mol, XLogP of 8.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform is sourced from PubChem (CID 139048437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).