1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol

C15H11F5O — CID 114978840

IUPAC1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H11F5O/c16-11-10(12(17)14(19)15(20)13(11)18)9(21)7-6-8-4-2-1-3-5-8/h1-5,9,21H,6-7H2
InChIKeyCIWXBJUEVWQNDX-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.05
Rot. Bonds4

About 1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol

1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol (PubChem CID 114978840) has the molecular formula C15H11F5O and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol
PubChem CID114978840
Molecular FormulaC15H11F5O
Molecular Weight302.24 g/mol
Exact Mass302.07
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H11F5O/c16-11-10(12(17)14(19)15(20)13(11)18)9(21)7-6-8-4-2-1-3-5-8/h1-5,9,21H,6-7H2
InChIKeyCIWXBJUEVWQNDX-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol
CID 10684746
1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
CID 114979028
1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol
CID 107538484
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1-(2-iodophenyl)-3-phenylpropan-1-ol
CID 14918705
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 107516181
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol (CID 114978840) is 1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol is OC(CCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol?
The InChIKey is CIWXBJUEVWQNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5O/c16-11-10(12(17)14(19)15(20)13(11)18)9(21)7-6-8-4-2-1-3-5-8/h1-5,9,21H,6-7H2.
What are the key properties of 1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol?
1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol has a molecular weight of 302.24 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 114978840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).