1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol

C11H14ClFO2 — CID 112653497

IUPAC1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol
SMILESCOC(C)C(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C11H14ClFO2/c1-7(15-2)10(14)6-8-4-3-5-9(13)11(8)12/h3-5,7,10,14H,6H2,1-2H3
InChIKeyQGKGDYCLXJBLPF-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.42
Rot. Bonds4

About 1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol

1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol (PubChem CID 112653497) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol
PubChem CID112653497
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol
SMILESCOC(C)C(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C11H14ClFO2/c1-7(15-2)10(14)6-8-4-3-5-9(13)11(8)12/h3-5,7,10,14H,6H2,1-2H3
InChIKeyQGKGDYCLXJBLPF-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-3-methylsulfonylbutan-2-ol
CID 115831192
1-(2-chloro-3-fluorophenyl)-5-methoxypentan-2-ol
CID 112653463
methyl 3-(2-chloro-3-fluorophenyl)-2-hydroxypropanoate
CID 112653100
1-(2-chloro-3-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 115831221
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
3-(2-chloro-3-fluorophenyl)-1,1-dimethoxypropan-2-amine
CID 112653856
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 115983556
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547608
1-(2-chloro-3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-ol
CID 103560237
2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 115983386

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol (CID 112653497) is 1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol is COC(C)C(O)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol?
The InChIKey is QGKGDYCLXJBLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c1-7(15-2)10(14)6-8-4-3-5-9(13)11(8)12/h3-5,7,10,14H,6H2,1-2H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol?
1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol has a molecular weight of 232.68 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol is sourced from PubChem (CID 112653497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).