2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol

C12H16F2O2 — CID 82819300

IUPAC2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol
SMILESCOCCC(C)(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C12H16F2O2/c1-8-4-5-9(13)10(11(8)14)12(2,15)6-7-16-3/h4-5,15H,6-7H2,1-3H3
InChIKeyHNQJJOHBRRZTGA-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.52
Rot. Bonds4

About 2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol

2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol (PubChem CID 82819300) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol
PubChem CID82819300
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol
SMILESCOCCC(C)(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C12H16F2O2/c1-8-4-5-9(13)10(11(8)14)12(2,15)6-7-16-3/h4-5,15H,6-7H2,1-3H3
InChIKeyHNQJJOHBRRZTGA-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 82819317
2-(2,6-difluoro-3-methylphenyl)-1-(ethylamino)propan-2-ol
CID 82828009
(2R)-2-amino-2-(2,6-difluoro-3-methylphenyl)propan-1-ol
CID 130691213
2-(2,5-dichlorophenyl)-4-methoxybutan-2-ol
CID 62787833
2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine
CID 107128253
3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide
CID 103712284
2-(4-ethylphenyl)-4-methoxybutan-2-ol
CID 62543730
ethyl 2-(2,6-difluorophenyl)-2-(2-methoxyethylamino)propanoate
CID 62539749
2-(2-ethoxyphenyl)-4-methoxybutan-2-ol
CID 62802549
1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol
CID 115836226
2-(2,6-difluoro-3-methylphenyl)-1-phenylbutan-2-ol
CID 82819467
1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124686

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol?
The IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol (CID 82819300) is 2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol.
What is the SMILES notation for 2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol?
The canonical SMILES for 2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol is COCCC(C)(O)c1c(F)ccc(C)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol?
The InChIKey is HNQJJOHBRRZTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-8-4-5-9(13)10(11(8)14)12(2,15)6-7-16-3/h4-5,15H,6-7H2,1-3H3.
What are the key properties of 2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol?
2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol has a molecular weight of 230.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methylphenyl)-4-methoxybutan-2-ol is sourced from PubChem (CID 82819300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).