1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol

C17H18ClFO — CID 103053443

IUPAC1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol
SMILESOC(CCCc1ccccc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C17H18ClFO/c18-15-9-10-17(19)14(11-15)12-16(20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,16,20H,4,7-8,12H2
InChIKeyJEDJUOZRLVQTAY-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.41
Rot. Bonds6

About 1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol

1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol (PubChem CID 103053443) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol
PubChem CID103053443
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol
SMILESOC(CCCc1ccccc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C17H18ClFO/c18-15-9-10-17(19)14(11-15)12-16(20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,16,20H,4,7-8,12H2
InChIKeyJEDJUOZRLVQTAY-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 103053358
1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol
CID 55095424
1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol
CID 106868054
1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine
CID 114843607
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
1-chloro-7-phenylheptan-4-ol
CID 54140253
1-(2-methoxyphenyl)-5-phenylpentan-2-ol
CID 62606153
1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol
CID 115791241
(2R)-5-phenylpentane-1,2-diol
CID 102483629
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
CID 83441782
1-(4-methylphenyl)-5-phenylpentan-2-ol
CID 62606393
4-(4-chloro-2-fluorophenyl)-1-phenylbutan-1-ol
CID 114860116

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol (CID 103053443) is 1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol is OC(CCCc1ccccc1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol?
The InChIKey is JEDJUOZRLVQTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c18-15-9-10-17(19)14(11-15)12-16(20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,16,20H,4,7-8,12H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol?
1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol has a molecular weight of 292.78 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol is sourced from PubChem (CID 103053443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).