1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one

C22H26O2 — CID 22891039

IUPAC1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one
SMILESCCCCC(=O)C1(CCCCO)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26O2/c1-2-3-14-21(24)22(15-8-9-16-23)19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h4-7,10-13,23H,2-3,8-9,14-16H2,1H3
InChIKeyNKNOILUFUQLTAQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.88
Rot. Bonds8

About 1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one

1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one (PubChem CID 22891039) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one.

Molecular Properties

Compound Name1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one
PubChem CID22891039
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one
SMILESCCCCC(=O)C1(CCCCO)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26O2/c1-2-3-14-21(24)22(15-8-9-16-23)19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h4-7,10-13,23H,2-3,8-9,14-16H2,1H3
InChIKeyNKNOILUFUQLTAQ-UHFFFAOYSA-N
XLogP4.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.88
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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Frequently Asked Questions

What is the IUPAC name of 1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one?
The IUPAC name of 1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one (CID 22891039) is 1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one.
What is the SMILES notation for 1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one?
The canonical SMILES for 1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one is CCCCC(=O)C1(CCCCO)c2ccccc2-c2ccccc21.
What is the InChIKey of 1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one?
The InChIKey is NKNOILUFUQLTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-2-3-14-21(24)22(15-8-9-16-23)19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h4-7,10-13,23H,2-3,8-9,14-16H2,1H3.
What are the key properties of 1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one?
1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one has a molecular weight of 322.45 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(4-hydroxybutyl)fluoren-9-yl]pentan-1-one is sourced from PubChem (CID 22891039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).