1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol

C11H14F2O2 — CID 117307929

IUPAC1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1c(F)cc(CC(C)O)cc1F
InChIInChI=1S/C11H14F2O2/c1-7(14)3-8-4-10(12)9(6-15-2)11(13)5-8/h4-5,7,14H,3,6H2,1-2H3
InChIKeyLLEGDMKUFJREIQ-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.03
Rot. Bonds4

About 1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol

1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol (PubChem CID 117307929) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
PubChem CID117307929
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1c(F)cc(CC(C)O)cc1F
InChIInChI=1S/C11H14F2O2/c1-7(14)3-8-4-10(12)9(6-15-2)11(13)5-8/h4-5,7,14H,3,6H2,1-2H3
InChIKeyLLEGDMKUFJREIQ-UHFFFAOYSA-N
XLogP2.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337294
1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117443726
1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117287870
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410057
1-(4-chloro-3-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311648
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 117325737
[2,6-difluoro-4-(methoxymethyl)phenyl]methanol
CID 130130923
2,6-difluoro-4-(2-hydroxypropyl)benzaldehyde
CID 87217406
1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117328603
1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol
CID 117369429
5-(2-hydroxypropyl)benzene-1,2,3-triol
CID 141358903
3-[3,5-difluoro-4-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117398966

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol (CID 117307929) is 1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol is COCc1c(F)cc(CC(C)O)cc1F.
What is the InChIKey of 1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol?
The InChIKey is LLEGDMKUFJREIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-7(14)3-8-4-10(12)9(6-15-2)11(13)5-8/h4-5,7,14H,3,6H2,1-2H3.
What are the key properties of 1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol?
1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol has a molecular weight of 216.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117307929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).