2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol

C37H30O4S — CID 171457344

IUPAC2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccc(-c4cc5ccccc5s4)cc32)cc1
InChIInChI=1S/C37H30O4S/c38-19-21-40-29-14-10-27(11-15-29)37(28-12-16-30(17-13-28)41-22-20-39)33-7-3-2-6-31(33)32-18-9-26(23-34(32)37)36-24-25-5-1-4-8-35(25)42-36/h1-18,23-24,38-39H,19-22H2
InChIKeyCPNJBWMUPAISIR-UHFFFAOYSA-N
MW570.71 g/mol
LogP7.67
Rot. Bonds9

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

2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol (PubChem CID 171457344) has the molecular formula C37H30O4S and a molecular weight of 570.71 g/mol. Its IUPAC name is 2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
PubChem CID171457344
Molecular FormulaC37H30O4S
Molecular Weight570.71 g/mol
Exact Mass570.19
IUPAC Name2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccc(-c4cc5ccccc5s4)cc32)cc1
InChIInChI=1S/C37H30O4S/c38-19-21-40-29-14-10-27(11-15-29)37(28-12-16-30(17-13-28)41-22-20-39)33-7-3-2-6-31(33)32-18-9-26(23-34(32)37)36-24-25-5-1-4-8-35(25)42-36/h1-18,23-24,38-39H,19-22H2
InChIKeyCPNJBWMUPAISIR-UHFFFAOYSA-N
XLogP7.67
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.71
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
CID 171457359
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol
CID 170283807
3-[4-[9-[4-(3-hydroxypropoxy)phenyl]-2-naphthalen-2-ylfluoren-9-yl]phenoxy]propan-1-ol
CID 171457350
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-[4-(2-phenylethynyl)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 171457332
2-[4-(1-benzothiophen-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 146183519
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
CID 163468079
2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 155473515
2-[4-[3-[9-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]fluoren-9-yl]phenyl]phenoxy]ethanol
CID 67052233
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol
CID 171457364
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate
CID 71033273
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)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 160842245

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol (CID 171457344) is 2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol is OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccc(-c4cc5ccccc5s4)cc32)cc1.
What is the InChIKey of 2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
The InChIKey is CPNJBWMUPAISIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30O4S/c38-19-21-40-29-14-10-27(11-15-29)37(28-12-16-30(17-13-28)41-22-20-39)33-7-3-2-6-31(33)32-18-9-26(23-34(32)37)36-24-25-5-1-4-8-35(25)42-36/h1-18,23-24,38-39H,19-22H2.
What are the key properties of 2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol?
2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol has a molecular weight of 570.71 g/mol, XLogP of 7.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-benzothiophen-2-yl)-9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol is sourced from PubChem (CID 171457344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).