1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol

C12H17FO3 — CID 117328885

IUPAC1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol
SMILESCOc1c(C)cc(CC(C)O)c(F)c1OC
InChIInChI=1S/C12H17FO3/c1-7-5-9(6-8(2)14)10(13)12(16-4)11(7)15-3/h5,8,14H,6H2,1-4H3
InChIKeyXGIIQDGNKOHDSH-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.07
Rot. Bonds4

About 1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol

1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol (PubChem CID 117328885) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol
PubChem CID117328885
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Name1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol
SMILESCOc1c(C)cc(CC(C)O)c(F)c1OC
InChIInChI=1S/C12H17FO3/c1-7-5-9(6-8(2)14)10(13)12(16-4)11(7)15-3/h5,8,14H,6H2,1-4H3
InChIKeyXGIIQDGNKOHDSH-UHFFFAOYSA-N
XLogP2.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
CID 117114492
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-one
CID 117325240
1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
CID 117305462
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
O-[2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117330365
3-(2-fluoro-4-hydroxy-3-methoxy-5-methylphenyl)-2-methylpropanoic acid
CID 117357352
4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
CID 117341360
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
(2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol
CID 68649923
1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
CID 117290712
(2R)-1-(4-methoxy-2-methylphenyl)propan-2-ol
CID 97009148
1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)propan-2-ol
CID 117410056

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol?
The IUPAC name of 1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol (CID 117328885) is 1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol is COc1c(C)cc(CC(C)O)c(F)c1OC.
What is the InChIKey of 1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol?
The InChIKey is XGIIQDGNKOHDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3/c1-7-5-9(6-8(2)14)10(13)12(16-4)11(7)15-3/h5,8,14H,6H2,1-4H3.
What are the key properties of 1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol?
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol has a molecular weight of 228.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol is sourced from PubChem (CID 117328885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).