2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol

C12H16ClFO2 — CID 105393954

IUPAC2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol
SMILESCOCC(O)(c1cc(F)ccc1Cl)C(C)C
InChIInChI=1S/C12H16ClFO2/c1-8(2)12(15,7-16-3)10-6-9(14)4-5-11(10)13/h4-6,8,15H,7H2,1-3H3
InChIKeyZFIZHSRPDPIXSJ-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.97
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol

2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol (PubChem CID 105393954) has the molecular formula C12H16ClFO2 and a molecular weight of 246.71 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol
PubChem CID105393954
Molecular FormulaC12H16ClFO2
Molecular Weight246.71 g/mol
Exact Mass246.08
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol
SMILESCOCC(O)(c1cc(F)ccc1Cl)C(C)C
InChIInChI=1S/C12H16ClFO2/c1-8(2)12(15,7-16-3)10-6-9(14)4-5-11(10)13/h4-6,8,15H,7H2,1-3H3
InChIKeyZFIZHSRPDPIXSJ-UHFFFAOYSA-N
XLogP2.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 105396214
1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol
CID 102617315
2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol
CID 104737660
2-(2-chloro-5-fluorophenyl)-4-methoxybutan-2-amine
CID 105394111
1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol
CID 105394437
3-(2-chloro-5-fluorophenyl)pentan-3-amine
CID 105394104
2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 105396212
1-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethanol
CID 105393748
1-(2-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 65146783
3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol
CID 62788142
2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 83686715

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol (CID 105393954) is 2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol is COCC(O)(c1cc(F)ccc1Cl)C(C)C.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol?
The InChIKey is ZFIZHSRPDPIXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO2/c1-8(2)12(15,7-16-3)10-6-9(14)4-5-11(10)13/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol?
2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol has a molecular weight of 246.71 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 105393954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).