1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol

C12H17FO3 — CID 117328887

IUPAC1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
SMILESCOc1cc(CC(C)O)c(OC)cc1CF
InChIInChI=1S/C12H17FO3/c1-8(14)4-9-5-12(16-3)10(7-13)6-11(9)15-2/h5-6,8,14H,4,7H2,1-3H3
InChIKeyDCCWAHOHEXEAKG-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.10
Rot. Bonds5

About 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol

1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol (PubChem CID 117328887) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
PubChem CID117328887
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Name1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
SMILESCOc1cc(CC(C)O)c(OC)cc1CF
InChIInChI=1S/C12H17FO3/c1-8(14)4-9-5-12(16-3)10(7-13)6-11(9)15-2/h5-6,8,14H,4,7H2,1-3H3
InChIKeyDCCWAHOHEXEAKG-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-hydroxypropyl)-2,4-dimethoxyphenol
CID 117303005
1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
CID 117290712
1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol
CID 117303123
1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442
5-fluoro-2-(2-hydroxypropyl)-4-methoxyphenol
CID 117289277
1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
CID 117306080
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117359840
1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
CID 117305462
5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
CID 117406460
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705

Frequently Asked Questions

What is the IUPAC name of 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol?
The IUPAC name of 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol (CID 117328887) is 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol?
The canonical SMILES for 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol is COc1cc(CC(C)O)c(OC)cc1CF.
What is the InChIKey of 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol?
The InChIKey is DCCWAHOHEXEAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3/c1-8(14)4-9-5-12(16-3)10(7-13)6-11(9)15-2/h5-6,8,14H,4,7H2,1-3H3.
What are the key properties of 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol?
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol has a molecular weight of 228.26 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol is sourced from PubChem (CID 117328887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).