4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol

C23H22O2 — CID 151570912

IUPAC4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol
SMILESOCCCCOc1ccccc1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C23H22O2/c24-14-5-6-15-25-23-13-4-3-10-21(23)20-12-7-11-19-18-9-2-1-8-17(18)16-22(19)20/h1-4,7-13,24H,5-6,14-16H2
InChIKeyQEKSFPPGKPBCDP-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.08
Rot. Bonds6

About 4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol

4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol (PubChem CID 151570912) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol.

Molecular Properties

Compound Name4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol
PubChem CID151570912
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol
SMILESOCCCCOc1ccccc1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C23H22O2/c24-14-5-6-15-25-23-13-4-3-10-21(23)20-12-7-11-19-18-9-2-1-8-17(18)16-22(19)20/h1-4,7-13,24H,5-6,14-16H2
InChIKeyQEKSFPPGKPBCDP-UHFFFAOYSA-N
XLogP5.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.08
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-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
[2-(9H-fluoren-1-yl)phenoxy]boronic acid
CID 69456186
butane-1,4-diol;9H-fluorene
CID 158933795
10-hydroxydecyl 2-(9H-fluoren-1-yl)prop-2-enoate
CID 150960043
2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol
CID 66730243
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(2-phenylethoxy)-9H-fluorene
CID 151682362
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
2-[4-(9H-fluoren-1-yl)-2,6-diphenylphenoxy]ethanol
CID 67660456
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
2-deuterio-4-(4-hydroxybutoxy)-3H-isoindol-1-one
CID 175717322
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542

Frequently Asked Questions

What is the IUPAC name of 4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol?
The IUPAC name of 4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol (CID 151570912) is 4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol.
What is the SMILES notation for 4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol?
The canonical SMILES for 4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol is OCCCCOc1ccccc1-c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol?
The InChIKey is QEKSFPPGKPBCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c24-14-5-6-15-25-23-13-4-3-10-21(23)20-12-7-11-19-18-9-2-1-8-17(18)16-22(19)20/h1-4,7-13,24H,5-6,14-16H2.
What are the key properties of 4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol?
4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol has a molecular weight of 330.43 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol is sourced from PubChem (CID 151570912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).