2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol

C41H34O4 — CID 139891141

IUPAC2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol
SMILESOCCOc1cccc(-c2ccccc2)c1C1(c2c(OCCO)cccc2-c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C41H34O4/c42-25-27-44-37-23-11-19-31(29-13-3-1-4-14-29)39(37)41(35-21-9-7-17-33(35)34-18-8-10-22-36(34)41)40-32(30-15-5-2-6-16-30)20-12-24-38(40)45-28-26-43/h1-24,42-43H,25-28H2
InChIKeySSICEWCLJYCKKM-UHFFFAOYSA-N
MW590.72 g/mol
LogP8.13
Rot. Bonds10

About 2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol

2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol (PubChem CID 139891141) has the molecular formula C41H34O4 and a molecular weight of 590.72 g/mol. Its IUPAC name is 2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol
PubChem CID139891141
Molecular FormulaC41H34O4
Molecular Weight590.72 g/mol
Exact Mass590.25
IUPAC Name2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol
SMILESOCCOc1cccc(-c2ccccc2)c1C1(c2c(OCCO)cccc2-c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C41H34O4/c42-25-27-44-37-23-11-19-31(29-13-3-1-4-14-29)39(37)41(35-21-9-7-17-33(35)34-18-8-10-22-36(34)41)40-32(30-15-5-2-6-16-30)20-12-24-38(40)45-28-26-43/h1-24,42-43H,25-28H2
InChIKeySSICEWCLJYCKKM-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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Related Compounds

2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 155660366
2-[4-[9-[4-(2-methoxyethoxy)-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 146666746
2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol
CID 67052233
2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol
CID 142536432
2-[4-[9-[4-(2-hydroxyethoxy)-3,5-bis(4-naphthalen-1-ylphenyl)phenyl]fluoren-9-yl]-2,6-bis(4-naphthalen-1-ylphenyl)phenoxy]ethanol
CID 172515739
2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol
CID 142536418
2-(3-methoxy-2-phenylphenoxy)ethanol
CID 91364527
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
CID 163468079
2-[6'-(2-hydroxyethoxy)spiro[fluorene-9,9'-thioxanthene]-3'-yl]oxyethanol
CID 167530004
2-[3-ethyl-4-[9-[2-ethyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 23136689
2-[2-cyclohexyl-4-[9-[3-cyclohexyl-4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 66672248
2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-di(thiophen-3-yl)fluoren-9-yl]naphthalen-1-yl]oxyethanol
CID 154629934

Frequently Asked Questions

What is the IUPAC name of 2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol?
The IUPAC name of 2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol (CID 139891141) is 2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol.
What is the SMILES notation for 2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol?
The canonical SMILES for 2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol is OCCOc1cccc(-c2ccccc2)c1C1(c2c(OCCO)cccc2-c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol?
The InChIKey is SSICEWCLJYCKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34O4/c42-25-27-44-37-23-11-19-31(29-13-3-1-4-14-29)39(37)41(35-21-9-7-17-33(35)34-18-8-10-22-36(34)41)40-32(30-15-5-2-6-16-30)20-12-24-38(40)45-28-26-43/h1-24,42-43H,25-28H2.
What are the key properties of 2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol?
2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-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-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol is sourced from PubChem (CID 139891141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).