1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol

C12H16ClFO2 — CID 102617315

IUPAC1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol
SMILESCCC(O)(COC)Cc1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFO2/c1-3-12(15,8-16-2)7-9-6-10(14)4-5-11(9)13/h4-6,15H,3,7-8H2,1-2H3
InChIKeySWZHIRHOMBAVLL-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.81
Rot. Bonds5

About 1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol

1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol (PubChem CID 102617315) has the molecular formula C12H16ClFO2 and a molecular weight of 246.71 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol
PubChem CID102617315
Molecular FormulaC12H16ClFO2
Molecular Weight246.71 g/mol
Exact Mass246.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol
SMILESCCC(O)(COC)Cc1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFO2/c1-3-12(15,8-16-2)7-9-6-10(14)4-5-11(9)13/h4-6,15H,3,7-8H2,1-2H3
InChIKeySWZHIRHOMBAVLL-UHFFFAOYSA-N
XLogP2.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol
CID 103391315
1-chloro-2-[2-(chloromethyl)-2-ethylbutyl]-4-fluorobenzene
CID 102621280
2-[(2-chloro-5-fluorophenyl)methyl]-2-methylbutanoic acid
CID 102616919
2-[2,2-bis(bromomethyl)pentyl]-1-chloro-4-fluorobenzene
CID 102621604
4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol
CID 102617435
5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol
CID 103391559
2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol
CID 105393954
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol
CID 102621164
1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 102617180
2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 102621542
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 102615748

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol (CID 102617315) is 1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol is CCC(O)(COC)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol?
The InChIKey is SWZHIRHOMBAVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO2/c1-3-12(15,8-16-2)7-9-6-10(14)4-5-11(9)13/h4-6,15H,3,7-8H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol?
1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol has a molecular weight of 246.71 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol is sourced from PubChem (CID 102617315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).