1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol

C18H20BrFO2 — CID 20741966

IUPAC1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol
SMILESCCCCC(O)(c1ccc(F)cc1)c1ccc(Br)cc1CO
InChIInChI=1S/C18H20BrFO2/c1-2-3-10-18(22,14-4-7-16(20)8-5-14)17-9-6-15(19)11-13(17)12-21/h4-9,11,21-22H,2-3,10,12H2,1H3
InChIKeyUHCHYWYEOMSSIQ-UHFFFAOYSA-N
MW367.26 g/mol
LogP4.51
Rot. Bonds6

About 1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol

1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol (PubChem CID 20741966) has the molecular formula C18H20BrFO2 and a molecular weight of 367.26 g/mol. Its IUPAC name is 1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol.

Molecular Properties

Compound Name1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol
PubChem CID20741966
Molecular FormulaC18H20BrFO2
Molecular Weight367.26 g/mol
Exact Mass366.06
IUPAC Name1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol
SMILESCCCCC(O)(c1ccc(F)cc1)c1ccc(Br)cc1CO
InChIInChI=1S/C18H20BrFO2/c1-2-3-10-18(22,14-4-7-16(20)8-5-14)17-9-6-15(19)11-13(17)12-21/h4-9,11,21-22H,2-3,10,12H2,1H3
InChIKeyUHCHYWYEOMSSIQ-UHFFFAOYSA-N
XLogP4.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Bromo-2-(hydroxymethyl)phenyl)methanol
CID 10798791
(4-Bromo-2-methylphenyl)methanol
CID 22280088
1-[4-(4-Bromophenyl)phenyl]hexane-1,6-diol
CID 11233364
(5-Bromo-2-methylphenyl)methanol
CID 12993770
(4-Bromophenyl)(4-fluorophenyl)methanol
CID 13354004
4-Bromo-2-fluoro-alpha,alpha-dimethylbenzenemethanol
CID 58762195
2-[4-Bromo-2-(hydroxymethyl)phenyl]propan-2-ol
CID 68495520
1-(4-Bromo-2-methylphenyl)-2,2,2-trifluoroethan-1-ol
CID 86767394
1-[4-Bromo-2-(hydroxymethyl)phenyl]-4-(dimethylamino)-1-(4-fluorophenyl)butan-1-ol
CID 10172919
2-(4-Bromophenyl)-2,2-difluoro-1-phenylethanol
CID 150300967
1-(4-Bromophenyl)-1-phenylethanol
CID 12277679
(4-Bromo-phenyl)-(2,3,4,5,6-pentafluoro-phenyl)-methanol
CID 3478698

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol?
The IUPAC name of 1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol (CID 20741966) is 1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol.
What is the SMILES notation for 1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol?
The canonical SMILES for 1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol is CCCCC(O)(c1ccc(F)cc1)c1ccc(Br)cc1CO.
What is the InChIKey of 1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol?
The InChIKey is UHCHYWYEOMSSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFO2/c1-2-3-10-18(22,14-4-7-16(20)8-5-14)17-9-6-15(19)11-13(17)12-21/h4-9,11,21-22H,2-3,10,12H2,1H3.
What are the key properties of 1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol?
1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol has a molecular weight of 367.26 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(hydroxymethyl)phenyl]-1-(4-fluorophenyl)pentan-1-ol is sourced from PubChem (CID 20741966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).