2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol

C33H34O4 — CID 23136689

IUPAC2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
SMILESCCc1cc(OCCO)ccc1C1(c2ccc(OCCO)cc2CC)c2ccccc2-c2ccccc21
InChIInChI=1S/C33H34O4/c1-3-23-21-25(36-19-17-34)13-15-29(23)33(30-16-14-26(37-20-18-35)22-24(30)4-2)31-11-7-5-9-27(31)28-10-6-8-12-32(28)33/h5-16,21-22,34-35H,3-4,17-20H2,1-2H3
InChIKeyZSROLSVYJOBHHD-UHFFFAOYSA-N
MW494.63 g/mol
LogP5.92
Rot. Bonds10

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

2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol (PubChem CID 23136689) has the molecular formula C33H34O4 and a molecular weight of 494.63 g/mol. Its IUPAC name is 2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
PubChem CID23136689
Molecular FormulaC33H34O4
Molecular Weight494.63 g/mol
Exact Mass494.25
IUPAC Name2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
SMILESCCc1cc(OCCO)ccc1C1(c2ccc(OCCO)cc2CC)c2ccccc2-c2ccccc21
InChIInChI=1S/C33H34O4/c1-3-23-21-25(36-19-17-34)13-15-29(23)33(30-16-14-26(37-20-18-35)22-24(30)4-2)31-11-7-5-9-27(31)28-10-6-8-12-32(28)33/h5-16,21-22,34-35H,3-4,17-20H2,1-2H3
InChIKeyZSROLSVYJOBHHD-UHFFFAOYSA-N
XLogP5.92
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.63
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
The IUPAC name of 2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol (CID 23136689) is 2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
The canonical SMILES for 2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol is CCc1cc(OCCO)ccc1C1(c2ccc(OCCO)cc2CC)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
The InChIKey is ZSROLSVYJOBHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O4/c1-3-23-21-25(36-19-17-34)13-15-29(23)33(30-16-14-26(37-20-18-35)22-24(30)4-2)31-11-7-5-9-27(31)28-10-6-8-12-32(28)33/h5-16,21-22,34-35H,3-4,17-20H2,1-2H3.
What are the key properties of 2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol has a molecular weight of 494.63 g/mol, XLogP of 5.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol is sourced from PubChem (CID 23136689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).