1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol

C13H17BrF2O2 — CID 106274511

IUPAC1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol
SMILESCOCC(C)CC(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C13H17BrF2O2/c1-8(7-18-2)5-9(17)6-10-12(15)4-3-11(14)13(10)16/h3-4,8-9,17H,5-7H2,1-2H3
InChIKeyLOYNAFUJDPSYBA-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.30
Rot. Bonds6

About 1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol

1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol (PubChem CID 106274511) has the molecular formula C13H17BrF2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol
PubChem CID106274511
Molecular FormulaC13H17BrF2O2
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol
SMILESCOCC(C)CC(O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C13H17BrF2O2/c1-8(7-18-2)5-9(17)6-10-12(15)4-3-11(14)13(10)16/h3-4,8-9,17H,5-7H2,1-2H3
InChIKeyLOYNAFUJDPSYBA-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-ol
CID 106273651
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
1-(3-bromo-2,6-difluorophenyl)-5-ethoxypentan-2-ol
CID 106274424
1-bromo-2,4-difluoro-3-(1-methoxypropan-2-yloxymethyl)benzene
CID 106269997
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 106273281
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
1-(3-bromo-2,6-difluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-ol
CID 106266545
1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 106266424
1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 106274453
1-(3-bromo-2,6-difluorophenyl)-4-(4-methylphenyl)butan-2-ol
CID 106274397
3-(3-bromo-2,6-difluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 106943534
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methoxybutan-2-amine
CID 114165683

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol (CID 106274511) is 1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol is COCC(C)CC(O)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol?
The InChIKey is LOYNAFUJDPSYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF2O2/c1-8(7-18-2)5-9(17)6-10-12(15)4-3-11(14)13(10)16/h3-4,8-9,17H,5-7H2,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol?
1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol has a molecular weight of 323.18 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-5-methoxy-4-methylpentan-2-ol is sourced from PubChem (CID 106274511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).