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

C29H25IO4 — CID 163468079

IUPAC2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
SMILESOCCOc1ccc(C2(c3ccc(OCCOI)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H25IO4/c30-34-20-19-33-24-15-11-22(12-16-24)29(21-9-13-23(14-10-21)32-18-17-31)27-7-3-1-5-25(27)26-6-2-4-8-28(26)29/h1-16,31H,17-20H2
InChIKeyBUHHLZVRZRSCCF-UHFFFAOYSA-N
MW564.42 g/mol
LogP6.17
Rot. Bonds9

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

2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite (PubChem CID 163468079) has the molecular formula C29H25IO4 and a molecular weight of 564.42 g/mol. Its IUPAC name is 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite.

Molecular Properties

Compound Name2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
PubChem CID163468079
Molecular FormulaC29H25IO4
Molecular Weight564.42 g/mol
Exact Mass564.08
IUPAC Name2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
SMILESOCCOc1ccc(C2(c3ccc(OCCOI)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H25IO4/c30-34-20-19-33-24-15-11-22(12-16-24)29(21-9-13-23(14-10-21)32-18-17-31)27-7-3-1-5-25(27)26-6-2-4-8-28(26)29/h1-16,31H,17-20H2
InChIKeyBUHHLZVRZRSCCF-UHFFFAOYSA-N
XLogP6.17
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.42
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate
CID 71033273
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
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-9-yl]phenoxy]ethanol
CID 171457359
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-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol
CID 170283807
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-[4-(2-phenylethynyl)phenyl]fluoren-9-yl]phenoxy]ethanol
CID 171457332
9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene
CID 68925049
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
2-[4-[11-[4-(2-hydroxyethoxy)phenyl]-7,8-dimethylindeno[1,2-b]quinoxalin-11-yl]phenoxy]ethanol
CID 170065547
3-[4-[9-[4-(3-hydroxypropoxy)phenyl]-2-naphthalen-2-ylfluoren-9-yl]phenoxy]propan-1-ol
CID 171457350
9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene
CID 135250997

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite?
The IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite (CID 163468079) is 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite.
What is the SMILES notation for 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite?
The canonical SMILES for 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite is OCCOc1ccc(C2(c3ccc(OCCOI)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite?
The InChIKey is BUHHLZVRZRSCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25IO4/c30-34-20-19-33-24-15-11-22(12-16-24)29(21-9-13-23(14-10-21)32-18-17-31)27-7-3-1-5-25(27)26-6-2-4-8-28(26)29/h1-16,31H,17-20H2.
What are the key properties of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite?
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite has a molecular weight of 564.42 g/mol, XLogP of 6.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite is sourced from PubChem (CID 163468079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).