1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol

C12H16F2O2 — CID 116711989

IUPAC1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol
SMILESCOC(C(C)C)C(O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2O2/c1-7(2)12(16-3)11(15)9-6-8(13)4-5-10(9)14/h4-7,11-12,15H,1-3H3
InChIKeyKONGTPFMBLTOIN-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.67
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol

1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol (PubChem CID 116711989) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol
PubChem CID116711989
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol
SMILESCOC(C(C)C)C(O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2O2/c1-7(2)12(16-3)11(15)9-6-8(13)4-5-10(9)14/h4-7,11-12,15H,1-3H3
InChIKeyKONGTPFMBLTOIN-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711840
2-bromo-1-(2,5-difluorophenyl)propan-1-ol
CID 116863317
1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol
CID 82316224
1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol
CID 79743530
2-cyclopropyl-1-(2,5-difluorophenyl)propan-1-ol
CID 83148576
1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82316157
4-(2,5-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414806
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 82316233
1-(3-fluoro-5-methylphenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711949
1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711931
methyl 2-(2,5-difluorophenyl)propanoate
CID 62801922

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol (CID 116711989) is 1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol is COC(C(C)C)C(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol?
The InChIKey is KONGTPFMBLTOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-7(2)12(16-3)11(15)9-6-8(13)4-5-10(9)14/h4-7,11-12,15H,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol?
1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol has a molecular weight of 230.25 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 116711989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).