6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol

C35H38O2 — CID 102086579

IUPAC6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3ccc(-c4ccc(OCCCCCCO)cc4)cc3)cc21
InChIInChI=1S/C35H38O2/c1-3-35(4-2)33-12-8-7-11-31(33)32-22-19-29(25-34(32)35)28-15-13-26(14-16-28)27-17-20-30(21-18-27)37-24-10-6-5-9-23-36/h7-8,11-22,25,36H,3-6,9-10,23-24H2,1-2H3
InChIKeyXUFODMWFVKFTNH-UHFFFAOYSA-N
MW490.69 g/mol
LogP9.04
Rot. Bonds11

About 6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol

6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol (PubChem CID 102086579) has the molecular formula C35H38O2 and a molecular weight of 490.69 g/mol. Its IUPAC name is 6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol
PubChem CID102086579
Molecular FormulaC35H38O2
Molecular Weight490.69 g/mol
Exact Mass490.29
IUPAC Name6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3ccc(-c4ccc(OCCCCCCO)cc4)cc3)cc21
InChIInChI=1S/C35H38O2/c1-3-35(4-2)33-12-8-7-11-31(33)32-22-19-29(25-34(32)35)28-15-13-26(14-16-28)27-17-20-30(21-18-27)37-24-10-6-5-9-23-36/h7-8,11-22,25,36H,3-6,9-10,23-24H2,1-2H3
InChIKeyXUFODMWFVKFTNH-UHFFFAOYSA-N
XLogP9.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 59.04
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

11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612
2-[3-[3,5-bis(9,9-diethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858796
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
2-[3,5-bis(9,9-dioctylfluoren-2-yl)phenyl]-5-(4-octoxyphenyl)-1,3,4-oxadiazole
CID 58961748
3-[4-[9-[4-(3-hydroxypropoxy)phenyl]-2-naphthalen-2-ylfluoren-9-yl]phenoxy]propan-1-ol
CID 171457350
9-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-10-[10-(4-methoxyphenyl)anthracen-9-yl]anthracene
CID 20822214
9-(9,9-diethylfluoren-2-yl)-10-(4-methoxyphenyl)anthracene
CID 20822293
2-[6-(3-bromopropoxy)naphthalen-2-yl]-7-[9,9-diethyl-7-(4-methoxyphenyl)fluoren-2-yl]-9,9-diethylfluorene
CID 139257861

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol?
The IUPAC name of 6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol (CID 102086579) is 6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol is CCC1(CC)c2ccccc2-c2ccc(-c3ccc(-c4ccc(OCCCCCCO)cc4)cc3)cc21.
What is the InChIKey of 6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol?
The InChIKey is XUFODMWFVKFTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38O2/c1-3-35(4-2)33-12-8-7-11-31(33)32-22-19-29(25-34(32)35)28-15-13-26(14-16-28)27-17-20-30(21-18-27)37-24-10-6-5-9-23-36/h7-8,11-22,25,36H,3-6,9-10,23-24H2,1-2H3.
What are the key properties of 6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol?
6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol has a molecular weight of 490.69 g/mol, XLogP of 9.04, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(9,9-diethylfluoren-2-yl)phenyl]phenoxy]hexan-1-ol is sourced from PubChem (CID 102086579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).