1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol

C10H12F2O2 — CID 117290712

IUPAC1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
SMILESCOc1cc(CC(C)O)c(F)cc1F
InChIInChI=1S/C10H12F2O2/c1-6(13)3-7-4-10(14-2)9(12)5-8(7)11/h4-6,13H,3H2,1-2H3
InChIKeyWKISEALYNLYORO-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.90
Rot. Bonds3

About 1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol

1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol (PubChem CID 117290712) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
PubChem CID117290712
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
SMILESCOc1cc(CC(C)O)c(F)cc1F
InChIInChI=1S/C10H12F2O2/c1-6(13)3-7-4-10(14-2)9(12)5-8(7)11/h4-6,13H,3H2,1-2H3
InChIKeyWKISEALYNLYORO-UHFFFAOYSA-N
XLogP1.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-(2-hydroxypropyl)-4-methoxyphenol
CID 117289277
1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol
CID 117303123
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
CID 117328887
1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
5-(2-hydroxypropyl)-2,4-dimethoxyphenol
CID 117303005
1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
CID 117305462
1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine
CID 170890367
5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
CID 117406460
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-fluoro-4,5-dimethoxy-2-(2-methylpent-3-ynyl)benzene
CID 83922757
1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117303281

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol (CID 117290712) is 1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol is COc1cc(CC(C)O)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol?
The InChIKey is WKISEALYNLYORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-6(13)3-7-4-10(14-2)9(12)5-8(7)11/h4-6,13H,3H2,1-2H3.
What are the key properties of 1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol?
1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol has a molecular weight of 202.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 117290712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).