2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol

C41H34O4 — CID 21257836

IUPAC2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C41H34O4/c42-23-25-44-39-21-19-31(27-35(39)29-11-3-1-4-12-29)41(37-17-9-7-15-33(37)34-16-8-10-18-38(34)41)32-20-22-40(45-26-24-43)36(28-32)30-13-5-2-6-14-30/h1-22,27-28,42-43H,23-26H2
InChIKeyHBTONAMIPDVQRI-UHFFFAOYSA-N
MW590.72 g/mol
LogP8.13
Rot. Bonds10

About 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol

2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol (PubChem CID 21257836) has the molecular formula C41H34O4 and a molecular weight of 590.72 g/mol. Its IUPAC name is 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
PubChem CID21257836
Molecular FormulaC41H34O4
Molecular Weight590.72 g/mol
Exact Mass590.25
IUPAC Name2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C41H34O4/c42-23-25-44-39-21-19-31(27-35(39)29-11-3-1-4-12-29)41(37-17-9-7-15-33(37)34-16-8-10-18-38(34)41)32-20-22-40(45-26-24-43)36(28-32)30-13-5-2-6-14-30/h1-22,27-28,42-43H,23-26H2
InChIKeyHBTONAMIPDVQRI-UHFFFAOYSA-N
XLogP8.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.72
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol?
The IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol (CID 21257836) is 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol.
What is the SMILES notation for 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol?
The canonical SMILES for 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol is OCCOc1ccc(C2(c3ccc(OCCO)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccccc1.
What is the InChIKey of 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol?
The InChIKey is HBTONAMIPDVQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34O4/c42-23-25-44-39-21-19-31(27-35(39)29-11-3-1-4-12-29)41(37-17-9-7-15-33(37)34-16-8-10-18-38(34)41)32-20-22-40(45-26-24-43)36(28-32)30-13-5-2-6-14-30/h1-22,27-28,42-43H,23-26H2.
What are the key properties of 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol?
2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol has a molecular weight of 590.72 g/mol, XLogP of 8.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol is sourced from PubChem (CID 21257836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).