2-(9H-fluoren-1-yl)-4-nonylphenol

C28H32O — CID 152722460

IUPAC2-(9H-fluoren-1-yl)-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C28H32O/c1-2-3-4-5-6-7-8-12-21-17-18-28(29)27(19-21)25-16-11-15-24-23-14-10-9-13-22(23)20-26(24)25/h9-11,13-19,29H,2-8,12,20H2,1H3
InChIKeyZVXKJDDGPCDXOP-UHFFFAOYSA-N
MW384.56 g/mol
LogP7.92
Rot. Bonds9

About 2-(9H-fluoren-1-yl)-4-nonylphenol

2-(9H-fluoren-1-yl)-4-nonylphenol (PubChem CID 152722460) has the molecular formula C28H32O and a molecular weight of 384.56 g/mol. Its IUPAC name is 2-(9H-fluoren-1-yl)-4-nonylphenol.

Molecular Properties

Compound Name2-(9H-fluoren-1-yl)-4-nonylphenol
PubChem CID152722460
Molecular FormulaC28H32O
Molecular Weight384.56 g/mol
Exact Mass384.25
IUPAC Name2-(9H-fluoren-1-yl)-4-nonylphenol
SMILESCCCCCCCCCc1ccc(O)c(-c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C28H32O/c1-2-3-4-5-6-7-8-12-21-17-18-28(29)27(19-21)25-16-11-15-24-23-14-10-9-13-22(23)20-26(24)25/h9-11,13-19,29H,2-8,12,20H2,1H3
InChIKeyZVXKJDDGPCDXOP-UHFFFAOYSA-N
XLogP7.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(9H-fluoren-1-yl)-4-propylphenol
CID 151190186
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
3-tricosyl-9H-fluorene
CID 141426174
3-hexyl-9H-fluorene
CID 141425158
3-docosyl-9H-fluorene
CID 141425169
2-hexyl-9H-fluorene
CID 2801684
2-decyl-9H-fluorene
CID 21095311
2-(9H-fluoren-1-yl)-3,4-dioctylphenol
CID 151912824
2-(9H-fluoren-1-yl)-3-heptyl-4-pentylphenol
CID 150413225
4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol
CID 151971202
4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835
2-butyl-4-(9H-fluoren-1-yl)phenol
CID 139434152

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-yl)-4-nonylphenol?
The IUPAC name of 2-(9H-fluoren-1-yl)-4-nonylphenol (CID 152722460) is 2-(9H-fluoren-1-yl)-4-nonylphenol.
What is the SMILES notation for 2-(9H-fluoren-1-yl)-4-nonylphenol?
The canonical SMILES for 2-(9H-fluoren-1-yl)-4-nonylphenol is CCCCCCCCCc1ccc(O)c(-c2cccc3c2Cc2ccccc2-3)c1.
What is the InChIKey of 2-(9H-fluoren-1-yl)-4-nonylphenol?
The InChIKey is ZVXKJDDGPCDXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O/c1-2-3-4-5-6-7-8-12-21-17-18-28(29)27(19-21)25-16-11-15-24-23-14-10-9-13-22(23)20-26(24)25/h9-11,13-19,29H,2-8,12,20H2,1H3.
What are the key properties of 2-(9H-fluoren-1-yl)-4-nonylphenol?
2-(9H-fluoren-1-yl)-4-nonylphenol has a molecular weight of 384.56 g/mol, XLogP of 7.92, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-1-yl)-4-nonylphenol is sourced from PubChem (CID 152722460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).