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

C24H19F3O3S — CID 139048438

IUPAC2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene
SMILESCOc1ccccc1C1(c2ccccc2OC)C=C(SC(F)(F)F)c2ccccc2O1
InChIInChI=1S/C24H19F3O3S/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/h3-15H,1-2H3
InChIKeyJIYNCPWOYZOAAC-UHFFFAOYSA-N
MW444.47 g/mol
LogP6.63
Rot. Bonds5

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

2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene (PubChem CID 139048438) has the molecular formula C24H19F3O3S and a molecular weight of 444.47 g/mol. Its IUPAC name is 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene.

Molecular Properties

Compound Name2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene
PubChem CID139048438
Molecular FormulaC24H19F3O3S
Molecular Weight444.47 g/mol
Exact Mass444.10
IUPAC Name2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene
SMILESCOc1ccccc1C1(c2ccccc2OC)C=C(SC(F)(F)F)c2ccccc2O1
InChIInChI=1S/C24H19F3O3S/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/h3-15H,1-2H3
InChIKeyJIYNCPWOYZOAAC-UHFFFAOYSA-N
XLogP6.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.47
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2H-1-Benzopyran, 7-methoxy-2,2-dimethyl-3-phenyl-4-(4-(2-propenyloxy)phenyl)-
CID 3079008
7-Methoxy-3,4-bis(4-methoxyphenyl)-2,2-dimethylchromene
CID 12274759
7-Fluoro-2-(4-methoxyphenyl)chromene-4-thione
CID 46231937
9-methoxy-6,6-dimethyl-7-(4-methylsulfanylphenyl)-7H-chromeno[3,2-c]chromene
CID 101547122
(1Z)-1-[(2,4-dimethoxyphenyl)methylidene]-3-(trifluoromethyl)isothiochromene
CID 101576356
9-(4-Methoxyphenyl)xanthen-9-ol
CID 3439556
9-Ethoxy-9-phenyl-9H-xanthene
CID 620899
4-[3-(Trifluoromethyl)phenyl]spiro[chromene-2,1'-cyclohexane]
CID 134864286
2,4-Bis(4-fluorophenyl)-7-methoxy-4-methylchromene
CID 134962570
1,3,5-Trimethoxy-2-[1-(4-methoxyphenyl)-2-(trifluoromethylsulfanyl)propyl]benzene
CID 138977221
2,2-Diphenyl-4-(trifluoromethylsulfanyl)chromene
CID 139048433
2,2-Bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene;chloroform
CID 139048437

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene?
The IUPAC name of 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene (CID 139048438) is 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene.
What is the SMILES notation for 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene?
The canonical SMILES for 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene is COc1ccccc1C1(c2ccccc2OC)C=C(SC(F)(F)F)c2ccccc2O1.
What is the InChIKey of 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene?
The InChIKey is JIYNCPWOYZOAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3O3S/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/h3-15H,1-2H3.
What are the key properties of 2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene?
2,2-bis(2-methoxyphenyl)-4-(trifluoromethylsulfanyl)chromene has a molecular weight of 444.47 g/mol, XLogP of 6.63, 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 is sourced from PubChem (CID 139048438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).