4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol

C26H28O2 — CID 22630266

IUPAC4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol
SMILESCCCCCOc1ccc2c(c1)Cc1cc(CCc3ccc(O)cc3)ccc1-2
InChIInChI=1S/C26H28O2/c1-2-3-4-15-28-24-12-14-26-22(18-24)17-21-16-20(9-13-25(21)26)6-5-19-7-10-23(27)11-8-19/h7-14,16,18,27H,2-6,15,17H2,1H3
InChIKeyZPFOALXCTYGVCY-UHFFFAOYSA-N
MW372.51 g/mol
LogP6.32
Rot. Bonds8

About 4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol

4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol (PubChem CID 22630266) has the molecular formula C26H28O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol
PubChem CID22630266
Molecular FormulaC26H28O2
Molecular Weight372.51 g/mol
Exact Mass372.21
IUPAC Name4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol
SMILESCCCCCOc1ccc2c(c1)Cc1cc(CCc3ccc(O)cc3)ccc1-2
InChIInChI=1S/C26H28O2/c1-2-3-4-15-28-24-12-14-26-22(18-24)17-21-16-20(9-13-25(21)26)6-5-19-7-10-23(27)11-8-19/h7-14,16,18,27H,2-6,15,17H2,1H3
InChIKeyZPFOALXCTYGVCY-UHFFFAOYSA-N
XLogP6.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-fluoro-4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenyl] prop-2-enoate
CID 22630261
7-decoxy-9H-fluorene-2-carboxylic acid
CID 22153912
4-octadecoxyphenol
CID 22179059
propyl 7-heptoxy-9H-fluorene-2-carboxylate
CID 69416296
2-dodecoxy-6-hydroxyanthracene-9,10-dione
CID 71351025
2-pentoxy-9,10-dihydrophenanthrene
CID 143490734
N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine
CID 11463619
3-[4-[4-(7-pentyl-9H-fluoren-2-yl)phenyl]phenoxy]propyl prop-2-enoate
CID 23527476
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
2-decyl-9H-fluorene
CID 21095311
2-hexyl-9H-fluorene
CID 2801684
4-hexoxybenzene-1,2-diol
CID 23459322

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol?
The IUPAC name of 4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol (CID 22630266) is 4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol?
The canonical SMILES for 4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol is CCCCCOc1ccc2c(c1)Cc1cc(CCc3ccc(O)cc3)ccc1-2.
What is the InChIKey of 4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol?
The InChIKey is ZPFOALXCTYGVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O2/c1-2-3-4-15-28-24-12-14-26-22(18-24)17-21-16-20(9-13-25(21)26)6-5-19-7-10-23(27)11-8-19/h7-14,16,18,27H,2-6,15,17H2,1H3.
What are the key properties of 4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol?
4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol has a molecular weight of 372.51 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenol is sourced from PubChem (CID 22630266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).