(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol

C28H24F3NO3 — CID 11248612

IUPAC(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C(F)(F)F)c1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H24F3NO3/c1-15-14-27(2,3)32-19-9-8-18-24(23(15)19)22(13-16-6-5-7-17(12-16)28(29,30)31)35-21-11-10-20(33)26(34-4)25(18)21/h5-14,32-33H,1-4H3/b22-13-
InChIKeyDWKQZGCDDFUDBR-XKZIYDEJSA-N
MW479.50 g/mol
LogP7.58
Rot. Bonds2

About (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol

(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol (PubChem CID 11248612) has the molecular formula C28H24F3NO3 and a molecular weight of 479.50 g/mol. Its IUPAC name is (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
PubChem CID11248612
Molecular FormulaC28H24F3NO3
Molecular Weight479.50 g/mol
Exact Mass479.17
IUPAC Name(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C(F)(F)F)c1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H24F3NO3/c1-15-14-27(2,3)32-19-9-8-18-24(23(15)19)22(13-16-6-5-7-17(12-16)28(29,30)31)35-21-11-10-20(33)26(34-4)25(18)21/h5-14,32-33H,1-4H3/b22-13-
InChIKeyDWKQZGCDDFUDBR-XKZIYDEJSA-N
XLogP7.58
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.50
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
The IUPAC name of (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol (CID 11248612) is (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol is COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C(F)(F)F)c1)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
The InChIKey is DWKQZGCDDFUDBR-XKZIYDEJSA-N. The full InChI is InChI=1S/C28H24F3NO3/c1-15-14-27(2,3)32-19-9-8-18-24(23(15)19)22(13-16-6-5-7-17(12-16)28(29,30)31)35-21-11-10-20(33)26(34-4)25(18)21/h5-14,32-33H,1-4H3/b22-13-.
What are the key properties of (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol?
(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol has a molecular weight of 479.50 g/mol, XLogP of 7.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-(trifluoromethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 11248612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).