2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol

C13H18BrFO — CID 66059383

IUPAC2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFO/c1-9(2)5-10(8-16)6-11-7-12(14)3-4-13(11)15/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyZYVYDAHLSAWLIC-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.79
Rot. Bonds5

About 2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol

2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol (PubChem CID 66059383) has the molecular formula C13H18BrFO and a molecular weight of 289.19 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol
PubChem CID66059383
Molecular FormulaC13H18BrFO
Molecular Weight289.19 g/mol
Exact Mass288.05
IUPAC Name2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFO/c1-9(2)5-10(8-16)6-11-7-12(14)3-4-13(11)15/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyZYVYDAHLSAWLIC-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol
CID 66037391
N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 63497972
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
2-[2-(bromomethyl)-4-methylpentyl]-1,4-difluorobenzene
CID 66050500
2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol
CID 114349814
4-(5-bromo-2-fluorophenyl)-3-methylbutan-2-one
CID 60996788
1-(5-bromo-2-fluorophenyl)-3-methylsulfonylbutan-2-ol
CID 115784947
1-(5-bromo-2-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135556
N-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide
CID 126454758
N-[2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide
CID 126827192
4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene
CID 66035206
2-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63498493

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol (CID 66059383) is 2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol is CC(C)CC(CO)Cc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol?
The InChIKey is ZYVYDAHLSAWLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFO/c1-9(2)5-10(8-16)6-11-7-12(14)3-4-13(11)15/h3-4,7,9-10,16H,5-6,8H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol?
2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol has a molecular weight of 289.19 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol is sourced from PubChem (CID 66059383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).