1-(3,5-difluorophenyl)-5-methoxypentan-2-ol

C12H16F2O2 — CID 115601584

IUPAC1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O2/c1-16-4-2-3-12(15)7-9-5-10(13)8-11(14)6-9/h5-6,8,12,15H,2-4,7H2,1H3
InChIKeyQOTVFOSBDPKNRR-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.29
Rot. Bonds6

About 1-(3,5-difluorophenyl)-5-methoxypentan-2-ol

1-(3,5-difluorophenyl)-5-methoxypentan-2-ol (PubChem CID 115601584) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-5-methoxypentan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
PubChem CID115601584
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O2/c1-16-4-2-3-12(15)7-9-5-10(13)8-11(14)6-9/h5-6,8,12,15H,2-4,7H2,1H3
InChIKeyQOTVFOSBDPKNRR-UHFFFAOYSA-N
XLogP2.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(3,5-difluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105206742
1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol
CID 65092433
1-(3-fluorophenyl)-4-methoxybutan-2-ol
CID 61412399
1-(4-bromophenyl)-5-methoxypentan-2-ol
CID 62608729
1-(3,5-difluorophenyl)-4-methoxybutan-2-amine
CID 115601754
1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol
CID 105402534
1-(3-chlorophenyl)-5-methoxypentan-2-ol
CID 62608166
1-(2-fluorophenyl)-5-methoxypentan-2-ol
CID 62606164
1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol
CID 65092198
1-(2-amino-4-pyridinyl)-5-methoxypentan-2-ol
CID 65091967
5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 65091906
1-amino-3-(3,5-difluorophenyl)propan-2-ol
CID 83442505

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-5-methoxypentan-2-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-5-methoxypentan-2-ol (CID 115601584) is 1-(3,5-difluorophenyl)-5-methoxypentan-2-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-5-methoxypentan-2-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-5-methoxypentan-2-ol is COCCCC(O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-5-methoxypentan-2-ol?
The InChIKey is QOTVFOSBDPKNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-16-4-2-3-12(15)7-9-5-10(13)8-11(14)6-9/h5-6,8,12,15H,2-4,7H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-5-methoxypentan-2-ol?
1-(3,5-difluorophenyl)-5-methoxypentan-2-ol has a molecular weight of 230.25 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-5-methoxypentan-2-ol is sourced from PubChem (CID 115601584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).