1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol

C14H19BrClFO — CID 105399337

IUPAC1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C14H19BrClFO/c1-3-5-9(6-4-2)14(18)10-7-12(16)11(15)8-13(10)17/h7-9,14,18H,3-6H2,1-2H3
InChIKeyJTZOHSIWKPHKCE-UHFFFAOYSA-N
MW337.66 g/mol
LogP5.49
Rot. Bonds6

About 1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol

1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol (PubChem CID 105399337) has the molecular formula C14H19BrClFO and a molecular weight of 337.66 g/mol. Its IUPAC name is 1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol
PubChem CID105399337
Molecular FormulaC14H19BrClFO
Molecular Weight337.66 g/mol
Exact Mass336.03
IUPAC Name1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol
SMILESCCCC(CCC)C(O)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C14H19BrClFO/c1-3-5-9(6-4-2)14(18)10-7-12(16)11(15)8-13(10)17/h7-9,14,18H,3-6H2,1-2H3
InChIKeyJTZOHSIWKPHKCE-UHFFFAOYSA-N
XLogP5.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.66
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 50852803
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(4-Bromo-3,5-dichlorophenyl)methanol
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1-(3-Bromo-4-chlorophenyl)ethan-1-ol
CID 90317738
1-(4-Bromo-2,3-difluorophenyl)-3-methylbutan-1-ol
CID 90683050
2-(4-Bromophenyl)-1-(4-chlorophenyl)ethan-1-ol
CID 60797337
1-(4-Bromo-3-chlorophenyl)cyclopropan-1-ol
CID 81307393
(R)-1-(3-Bromo-4-chlorophenyl)ethan-1-ol
CID 112756230
2-Bromo-3-chloro-6-fluorobenzyl alcohol
CID 117351688
(1S)-1-(2-bromo-5-chlorophenyl)ethan-1-ol
CID 130054864
(1R)-1-(4-bromo-3-chlorophenyl)ethan-1-ol
CID 165657361
(1S)-1-(3-bromo-5-chlorophenyl)ethan-1-ol
CID 165780482

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol?
The IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol (CID 105399337) is 1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol.
What is the SMILES notation for 1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol?
The canonical SMILES for 1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol is CCCC(CCC)C(O)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol?
The InChIKey is JTZOHSIWKPHKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClFO/c1-3-5-9(6-4-2)14(18)10-7-12(16)11(15)8-13(10)17/h7-9,14,18H,3-6H2,1-2H3.
What are the key properties of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol?
1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol has a molecular weight of 337.66 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chloro-2-fluorophenyl)-2-propylpentan-1-ol is sourced from PubChem (CID 105399337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).