(9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene

C25H24O5 — CID 11315671

IUPAC(9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene
SMILESCOc1ccc2c(c1)-c1cc(OC)c(OC)cc1/C2=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H24O5/c1-26-16-7-8-17-18(10-15-6-9-22(27-2)23(11-15)28-3)20-13-24(29-4)25(30-5)14-21(20)19(17)12-16/h6-14H,1-5H3/b18-10+
InChIKeyRDMSYPFIIBHGIY-VCHYOVAHSA-N
MW404.46 g/mol
LogP5.30
Rot. Bonds6

About (9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene

(9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene (PubChem CID 11315671) has the molecular formula C25H24O5 and a molecular weight of 404.46 g/mol. Its IUPAC name is (9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene.

Molecular Properties

Compound Name(9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene
PubChem CID11315671
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Name(9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene
SMILESCOc1ccc2c(c1)-c1cc(OC)c(OC)cc1/C2=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H24O5/c1-26-16-7-8-17-18(10-15-6-9-22(27-2)23(11-15)28-3)20-13-24(29-4)25(30-5)14-21(20)19(17)12-16/h6-14H,1-5H3/b18-10+
InChIKeyRDMSYPFIIBHGIY-VCHYOVAHSA-N
XLogP5.30
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.46
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-2-methylinden-1-yl]acetic acid
CID 10150304
3,6-dimethoxy-1-[(3-methoxyphenyl)methylidene]cyclopropa[b]naphthalene
CID 11278572
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one
CID 6857791
4-ethenyl-1,2-dimethoxybenzene
CID 159733418
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran
CID 102593165
(3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 67357920
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one
CID 10860799
5-[(3,4-dimethoxyphenyl)methylidene]-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1356548
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
CID 102068140
CID 102068140
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477
5-[[4-methoxy-3-[(3-methoxyphenyl)methoxy]phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600103

Frequently Asked Questions

What is the IUPAC name of (9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene?
The IUPAC name of (9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene (CID 11315671) is (9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene.
What is the SMILES notation for (9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene?
The canonical SMILES for (9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene is COc1ccc2c(c1)-c1cc(OC)c(OC)cc1/C2=C/c1ccc(OC)c(OC)c1.
What is the InChIKey of (9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene?
The InChIKey is RDMSYPFIIBHGIY-VCHYOVAHSA-N. The full InChI is InChI=1S/C25H24O5/c1-26-16-7-8-17-18(10-15-6-9-22(27-2)23(11-15)28-3)20-13-24(29-4)25(30-5)14-21(20)19(17)12-16/h6-14H,1-5H3/b18-10+.
What are the key properties of (9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene?
(9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene has a molecular weight of 404.46 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene is sourced from PubChem (CID 11315671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).