4-(9,9-dihexylfluoren-1-yl)phenol

C31H38O — CID 174851586

IUPAC4-(9,9-dihexylfluoren-1-yl)phenol
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2cccc(-c3ccc(O)cc3)c21
InChIInChI=1S/C31H38O/c1-3-5-7-11-22-31(23-12-8-6-4-2)29-17-10-9-14-27(29)28-16-13-15-26(30(28)31)24-18-20-25(32)21-19-24/h9-10,13-21,32H,3-8,11-12,22-23H2,1-2H3
InChIKeyBLSJSODEWNFRJQ-UHFFFAOYSA-N
MW426.64 g/mol
LogP9.27
Rot. Bonds11

About 4-(9,9-dihexylfluoren-1-yl)phenol

4-(9,9-dihexylfluoren-1-yl)phenol (PubChem CID 174851586) has the molecular formula C31H38O and a molecular weight of 426.64 g/mol. Its IUPAC name is 4-(9,9-dihexylfluoren-1-yl)phenol.

Molecular Properties

Compound Name4-(9,9-dihexylfluoren-1-yl)phenol
PubChem CID174851586
Molecular FormulaC31H38O
Molecular Weight426.64 g/mol
Exact Mass426.29
IUPAC Name4-(9,9-dihexylfluoren-1-yl)phenol
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2cccc(-c3ccc(O)cc3)c21
InChIInChI=1S/C31H38O/c1-3-5-7-11-22-31(23-12-8-6-4-2)29-17-10-9-14-27(29)28-16-13-15-26(30(28)31)24-18-20-25(32)21-19-24/h9-10,13-21,32H,3-8,11-12,22-23H2,1-2H3
InChIKeyBLSJSODEWNFRJQ-UHFFFAOYSA-N
XLogP9.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.64
LogP ≤ 59.27
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

4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
1-(2-ethynylphenyl)-9,9-dihexylfluorene
CID 150376701
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
CID 162235627
CID 162235627
2-(9,9-dioctylfluoren-1-yl)-4,5-diphenyl-1H-imidazole
CID 141065841
9,9-bis(10-nonylsulfanyldecyl)fluorene
CID 102382728
3-bromo-9,9-dioctylfluorene
CID 139567905
2-(9,9-dioctylfluoren-1-yl)-1-(4-methylphenyl)benzimidazole
CID 141297702
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dihexylfluoren-1-yl)phenol?
The IUPAC name of 4-(9,9-dihexylfluoren-1-yl)phenol (CID 174851586) is 4-(9,9-dihexylfluoren-1-yl)phenol.
What is the SMILES notation for 4-(9,9-dihexylfluoren-1-yl)phenol?
The canonical SMILES for 4-(9,9-dihexylfluoren-1-yl)phenol is CCCCCCC1(CCCCCC)c2ccccc2-c2cccc(-c3ccc(O)cc3)c21.
What is the InChIKey of 4-(9,9-dihexylfluoren-1-yl)phenol?
The InChIKey is BLSJSODEWNFRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38O/c1-3-5-7-11-22-31(23-12-8-6-4-2)29-17-10-9-14-27(29)28-16-13-15-26(30(28)31)24-18-20-25(32)21-19-24/h9-10,13-21,32H,3-8,11-12,22-23H2,1-2H3.
What are the key properties of 4-(9,9-dihexylfluoren-1-yl)phenol?
4-(9,9-dihexylfluoren-1-yl)phenol has a molecular weight of 426.64 g/mol, XLogP of 9.27, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dihexylfluoren-1-yl)phenol is sourced from PubChem (CID 174851586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).