5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one

C34H34O3 — CID 176819827

IUPAC5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
SMILESCCCCOc1ccc(C2(c3ccc(OCCCC(C)=O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C34H34O3/c1-3-4-23-36-28-19-15-26(16-20-28)34(27-17-21-29(22-18-27)37-24-9-10-25(2)35)32-13-7-5-11-30(32)31-12-6-8-14-33(31)34/h5-8,11-22H,3-4,9-10,23-24H2,1-2H3
InChIKeyRNBCSZVRAUABOF-UHFFFAOYSA-N
MW490.64 g/mol
LogP7.98
Rot. Bonds11

About 5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one

5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one (PubChem CID 176819827) has the molecular formula C34H34O3 and a molecular weight of 490.64 g/mol. Its IUPAC name is 5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one.

Molecular Properties

Compound Name5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
PubChem CID176819827
Molecular FormulaC34H34O3
Molecular Weight490.64 g/mol
Exact Mass490.25
IUPAC Name5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
SMILESCCCCOc1ccc(C2(c3ccc(OCCCC(C)=O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C34H34O3/c1-3-4-23-36-28-19-15-26(16-20-28)34(27-17-21-29(22-18-27)37-24-9-10-25(2)35)32-13-7-5-11-30(32)31-12-6-8-14-33(31)34/h5-8,11-22H,3-4,9-10,23-24H2,1-2H3
InChIKeyRNBCSZVRAUABOF-UHFFFAOYSA-N
XLogP7.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.64
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one with MolForge

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Related Compounds

9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
2-methyl-6-[4-[9-[4-(5-methyl-3,4-dioxohex-5-enoxy)phenyl]fluoren-9-yl]phenoxy]hex-1-ene-3,4-dione
CID 66717671
9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene
CID 71465071
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233
9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene
CID 18704292
prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate
CID 100914057
2-[4-[9-[4-(2-methoxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl 2-ethyl-2-methylpentanoate;pentane
CID 145231729
6-[4-[9-[4-(6-but-2-enoyloxyhexoxy)phenyl]fluoren-9-yl]phenoxy]hexyl but-2-enoate
CID 168867072
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
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
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
acetic acid;butoxybenzene
CID 162338086

Frequently Asked Questions

What is the IUPAC name of 5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one?
The IUPAC name of 5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one (CID 176819827) is 5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one.
What is the SMILES notation for 5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one?
The canonical SMILES for 5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one is CCCCOc1ccc(C2(c3ccc(OCCCC(C)=O)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one?
The InChIKey is RNBCSZVRAUABOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O3/c1-3-4-23-36-28-19-15-26(16-20-28)34(27-17-21-29(22-18-27)37-24-9-10-25(2)35)32-13-7-5-11-30(32)31-12-6-8-14-33(31)34/h5-8,11-22H,3-4,9-10,23-24H2,1-2H3.
What are the key properties of 5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one?
5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one has a molecular weight of 490.64 g/mol, XLogP of 7.98, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one is sourced from PubChem (CID 176819827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).