6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene

C18H14ClF3O2 — CID 141097863

IUPAC6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene
SMILESCOc1ccc(Cc2cc3c(cc2Cl)C=CC(C(F)(F)F)O3)cc1
InChIInChI=1S/C18H14ClF3O2/c1-23-14-5-2-11(3-6-14)8-13-10-16-12(9-15(13)19)4-7-17(24-16)18(20,21)22/h2-7,9-10,17H,8H2,1H3
InChIKeyUARYXOSSRXGVGJ-UHFFFAOYSA-N
MW354.76 g/mol
LogP5.28
Rot. Bonds3

About 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene

6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene (PubChem CID 141097863) has the molecular formula C18H14ClF3O2 and a molecular weight of 354.76 g/mol. Its IUPAC name is 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene.

Molecular Properties

Compound Name6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene
PubChem CID141097863
Molecular FormulaC18H14ClF3O2
Molecular Weight354.76 g/mol
Exact Mass354.06
IUPAC Name6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene
SMILESCOc1ccc(Cc2cc3c(cc2Cl)C=CC(C(F)(F)F)O3)cc1
InChIInChI=1S/C18H14ClF3O2/c1-23-14-5-2-11(3-6-14)8-13-10-16-12(9-15(13)19)4-7-17(24-16)18(20,21)22/h2-7,9-10,17H,8H2,1H3
InChIKeyUARYXOSSRXGVGJ-UHFFFAOYSA-N
XLogP5.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.76
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene?
The IUPAC name of 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene (CID 141097863) is 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene.
What is the SMILES notation for 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene?
The canonical SMILES for 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene is COc1ccc(Cc2cc3c(cc2Cl)C=CC(C(F)(F)F)O3)cc1.
What is the InChIKey of 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene?
The InChIKey is UARYXOSSRXGVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3O2/c1-23-14-5-2-11(3-6-14)8-13-10-16-12(9-15(13)19)4-7-17(24-16)18(20,21)22/h2-7,9-10,17H,8H2,1H3.
What are the key properties of 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene?
6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene has a molecular weight of 354.76 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-2H-chromene is sourced from PubChem (CID 141097863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).