2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol

C37H42O4 — CID 141378164

IUPAC2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol
SMILESCC(C)Cc1cc(-c2ccc3c(c2-c2ccc(OCCO)c(CC(C)C)c2)Cc2ccccc2-3)ccc1OCCO
InChIInChI=1S/C37H42O4/c1-24(2)19-29-21-27(9-13-35(29)40-17-15-38)32-11-12-33-31-8-6-5-7-26(31)23-34(33)37(32)28-10-14-36(41-18-16-39)30(22-28)20-25(3)4/h5-14,21-22,24-25,38-39H,15-20,23H2,1-4H3
InChIKeyNQJMIFOCRVNRON-UHFFFAOYSA-N
MW550.74 g/mol
LogP7.73
Rot. Bonds12

About 2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol

2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol (PubChem CID 141378164) has the molecular formula C37H42O4 and a molecular weight of 550.74 g/mol. Its IUPAC name is 2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol
PubChem CID141378164
Molecular FormulaC37H42O4
Molecular Weight550.74 g/mol
Exact Mass550.31
IUPAC Name2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol
SMILESCC(C)Cc1cc(-c2ccc3c(c2-c2ccc(OCCO)c(CC(C)C)c2)Cc2ccccc2-3)ccc1OCCO
InChIInChI=1S/C37H42O4/c1-24(2)19-29-21-27(9-13-35(29)40-17-15-38)32-11-12-33-31-8-6-5-7-26(31)23-34(33)37(32)28-10-14-36(41-18-16-39)30(22-28)20-25(3)4/h5-14,21-22,24-25,38-39H,15-20,23H2,1-4H3
InChIKeyNQJMIFOCRVNRON-UHFFFAOYSA-N
XLogP7.73
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.74
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol?
The IUPAC name of 2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol (CID 141378164) is 2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol?
The canonical SMILES for 2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol is CC(C)Cc1cc(-c2ccc3c(c2-c2ccc(OCCO)c(CC(C)C)c2)Cc2ccccc2-3)ccc1OCCO.
What is the InChIKey of 2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol?
The InChIKey is NQJMIFOCRVNRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42O4/c1-24(2)19-29-21-27(9-13-35(29)40-17-15-38)32-11-12-33-31-8-6-5-7-26(31)23-34(33)37(32)28-10-14-36(41-18-16-39)30(22-28)20-25(3)4/h5-14,21-22,24-25,38-39H,15-20,23H2,1-4H3.
What are the key properties of 2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol?
2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol has a molecular weight of 550.74 g/mol, XLogP of 7.73, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-(2-hydroxyethoxy)-3-(2-methylpropyl)phenyl]-9H-fluoren-2-yl]-2-(2-methylpropyl)phenoxy]ethanol is sourced from PubChem (CID 141378164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).