[2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol

C36H26O2 — CID 90394354

IUPAC[2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol
SMILESCOc1cc(C=C2c3ccccc3-c3ccccc32)c(CO)cc1C=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C36H26O2/c1-38-36-21-23(19-34-30-14-6-2-10-26(30)27-11-3-7-15-31(27)34)25(22-37)18-24(36)20-35-32-16-8-4-12-28(32)29-13-5-9-17-33(29)35/h2-21,37H,22H2,1H3
InChIKeyGQOZOLBDZXFEOF-UHFFFAOYSA-N
MW490.60 g/mol
LogP8.33
Rot. Bonds4

About [2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol

[2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol (PubChem CID 90394354) has the molecular formula C36H26O2 and a molecular weight of 490.60 g/mol. Its IUPAC name is [2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol
PubChem CID90394354
Molecular FormulaC36H26O2
Molecular Weight490.60 g/mol
Exact Mass490.19
IUPAC Name[2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol
SMILESCOc1cc(C=C2c3ccccc3-c3ccccc32)c(CO)cc1C=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C36H26O2/c1-38-36-21-23(19-34-30-14-6-2-10-26(30)27-11-3-7-15-31(27)34)25(22-37)18-24(36)20-35-32-16-8-4-12-28(32)29-13-5-9-17-33(29)35/h2-21,37H,22H2,1H3
InChIKeyGQOZOLBDZXFEOF-UHFFFAOYSA-N
XLogP8.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol?
The IUPAC name of [2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol (CID 90394354) is [2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol.
What is the SMILES notation for [2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol?
The canonical SMILES for [2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol is COc1cc(C=C2c3ccccc3-c3ccccc32)c(CO)cc1C=C1c2ccccc2-c2ccccc21.
What is the InChIKey of [2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol?
The InChIKey is GQOZOLBDZXFEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26O2/c1-38-36-21-23(19-34-30-14-6-2-10-26(30)27-11-3-7-15-31(27)34)25(22-37)18-24(36)20-35-32-16-8-4-12-28(32)29-13-5-9-17-33(29)35/h2-21,37H,22H2,1H3.
What are the key properties of [2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol?
[2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol has a molecular weight of 490.60 g/mol, XLogP of 8.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis(fluoren-9-ylidenemethyl)-4-methoxyphenyl]methanol is sourced from PubChem (CID 90394354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).