1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol

C13H19FO3 — CID 105122379

IUPAC1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)CC(O)c1cc(F)ccc1OC
InChIInChI=1S/C13H19FO3/c1-9(8-16-2)6-12(15)11-7-10(14)4-5-13(11)17-3/h4-5,7,9,12,15H,6,8H2,1-3H3
InChIKeyRLTFFQHILVGLQP-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.54
Rot. Bonds6

About 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol

1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol (PubChem CID 105122379) has the molecular formula C13H19FO3 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol
PubChem CID105122379
Molecular FormulaC13H19FO3
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)CC(O)c1cc(F)ccc1OC
InChIInChI=1S/C13H19FO3/c1-9(8-16-2)6-12(15)11-7-10(14)4-5-13(11)17-3/h4-5,7,9,12,15H,6,8H2,1-3H3
InChIKeyRLTFFQHILVGLQP-UHFFFAOYSA-N
XLogP2.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 61087087
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 61087261
(1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol
CID 142421091
1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027670
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol
CID 114201838
[1-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105330779

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol (CID 105122379) is 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol is COCC(C)CC(O)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol?
The InChIKey is RLTFFQHILVGLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO3/c1-9(8-16-2)6-12(15)11-7-10(14)4-5-13(11)17-3/h4-5,7,9,12,15H,6,8H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol?
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol has a molecular weight of 242.29 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-4-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 105122379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).