1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane

C13H20ClFO2 — CID 144527983

IUPAC1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane
SMILESCC.CCCC(O)c1c(OC)ccc(Cl)c1F
InChIInChI=1S/C11H14ClFO2.C2H6/c1-3-4-8(14)10-9(15-2)6-5-7(12)11(10)13;1-2/h5-6,8,14H,3-4H2,1-2H3;1-2H3
InChIKeyCQPYKOUFWQYCMG-UHFFFAOYSA-N
MW262.75 g/mol
LogP4.35
Rot. Bonds4

About 1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane

1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane (PubChem CID 144527983) has the molecular formula C13H20ClFO2 and a molecular weight of 262.75 g/mol. Its IUPAC name is 1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane.

Molecular Properties

Compound Name1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane
PubChem CID144527983
Molecular FormulaC13H20ClFO2
Molecular Weight262.75 g/mol
Exact Mass262.11
IUPAC Name1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane
SMILESCC.CCCC(O)c1c(OC)ccc(Cl)c1F
InChIInChI=1S/C11H14ClFO2.C2H6/c1-3-4-8(14)10-9(15-2)6-5-7(12)11(10)13;1-2/h5-6,8,14H,3-4H2,1-2H3;1-2H3
InChIKeyCQPYKOUFWQYCMG-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.75
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane 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

3-(3-amino-1-hydroxypropyl)-2-fluoro-4-methoxyphenol
CID 84783832
2-(3-chloro-2-fluoro-6-methoxyphenyl)propanenitrile
CID 84783015
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239
2-bromo-1-(3-chloro-2-fluoro-6-methoxyphenyl)ethanone
CID 171007152
1-(6-bromo-3-chloro-2-fluorophenyl)-3-iodopropan-1-ol
CID 89405826
2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol
CID 131188057
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
CID 118261733
2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol
CID 83950515
2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride
CID 171257502
2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 83902221
2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol
CID 84783831

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane?
The IUPAC name of 1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane (CID 144527983) is 1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane.
What is the SMILES notation for 1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane?
The canonical SMILES for 1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane is CC.CCCC(O)c1c(OC)ccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane?
The InChIKey is CQPYKOUFWQYCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2.C2H6/c1-3-4-8(14)10-9(15-2)6-5-7(12)11(10)13;1-2/h5-6,8,14H,3-4H2,1-2H3;1-2H3.
What are the key properties of 1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane?
1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane has a molecular weight of 262.75 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluoro-6-methoxyphenyl)butan-1-ol;ethane is sourced from PubChem (CID 144527983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).