1-(2,4-difluorophenyl)-8-phenylnonan-3-ol

C21H26F2O — CID 58861727

IUPAC1-(2,4-difluorophenyl)-8-phenylnonan-3-ol
SMILESCC(CCCCC(O)CCc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C21H26F2O/c1-16(17-8-3-2-4-9-17)7-5-6-10-20(24)14-12-18-11-13-19(22)15-21(18)23/h2-4,8-9,11,13,15-16,20,24H,5-7,10,12,14H2,1H3
InChIKeyNWBAMAVWSYIWMC-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.62
Rot. Bonds9

About 1-(2,4-difluorophenyl)-8-phenylnonan-3-ol

1-(2,4-difluorophenyl)-8-phenylnonan-3-ol (PubChem CID 58861727) has the molecular formula C21H26F2O and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-8-phenylnonan-3-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-8-phenylnonan-3-ol
PubChem CID58861727
Molecular FormulaC21H26F2O
Molecular Weight332.43 g/mol
Exact Mass332.20
IUPAC Name1-(2,4-difluorophenyl)-8-phenylnonan-3-ol
SMILESCC(CCCCC(O)CCc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C21H26F2O/c1-16(17-8-3-2-4-9-17)7-5-6-10-20(24)14-12-18-11-13-19(22)15-21(18)23/h2-4,8-9,11,13,15-16,20,24H,5-7,10,12,14H2,1H3
InChIKeyNWBAMAVWSYIWMC-UHFFFAOYSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.62
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-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
5-(2,4-difluorophenyl)pentan-2-ol
CID 64516740
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111538524
4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027876
1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol
CID 62197542
1-(2,4-difluorophenyl)decan-2-ol
CID 64559073
1-(2,4-difluorophenyl)nonan-2-ol
CID 63902016
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
(2S)-2-[4-(2,4-difluorophenyl)butan-2-ylamino]hexanoic acid
CID 122044654
4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol
CID 114860116
6-phenylhexan-2-ylbenzene
CID 19704587
4-[4-(2,4-difluorophenyl)butan-2-ylamino]butanoic acid
CID 122035922

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-8-phenylnonan-3-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-8-phenylnonan-3-ol (CID 58861727) is 1-(2,4-difluorophenyl)-8-phenylnonan-3-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-8-phenylnonan-3-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-8-phenylnonan-3-ol is CC(CCCCC(O)CCc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-8-phenylnonan-3-ol?
The InChIKey is NWBAMAVWSYIWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2O/c1-16(17-8-3-2-4-9-17)7-5-6-10-20(24)14-12-18-11-13-19(22)15-21(18)23/h2-4,8-9,11,13,15-16,20,24H,5-7,10,12,14H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-8-phenylnonan-3-ol?
1-(2,4-difluorophenyl)-8-phenylnonan-3-ol has a molecular weight of 332.43 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-8-phenylnonan-3-ol is sourced from PubChem (CID 58861727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).