1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol

C15H22ClFO2 — CID 103039717

IUPAC1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol
SMILESCCOC(CC)(CC)C(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H22ClFO2/c1-4-15(5-2,19-6-3)14(18)10-11-7-8-13(17)12(16)9-11/h7-9,14,18H,4-6,10H2,1-3H3
InChIKeyDVBBXMRCZJJTKW-UHFFFAOYSA-N
MW288.79 g/mol
LogP3.98
Rot. Bonds7

About 1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol

1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol (PubChem CID 103039717) has the molecular formula C15H22ClFO2 and a molecular weight of 288.79 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol
PubChem CID103039717
Molecular FormulaC15H22ClFO2
Molecular Weight288.79 g/mol
Exact Mass288.13
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol
SMILESCCOC(CC)(CC)C(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H22ClFO2/c1-4-15(5-2,19-6-3)14(18)10-11-7-8-13(17)12(16)9-11/h7-9,14,18H,4-6,10H2,1-3H3
InChIKeyDVBBXMRCZJJTKW-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 103039644
1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol
CID 103039553
1-(4-chloro-3-fluorophenyl)-3-ethylpentane-2,3-diol
CID 114012679
1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 103039633
3-(azepan-1-yl)-1-(3-chloro-4-fluorophenyl)-3-methylbutan-2-ol
CID 103039636
1-(3-chloro-4-fluorophenyl)-4-methylpentan-2-ol
CID 103039007
2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 103038976
2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol
CID 103039609
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
1-(3-chloro-4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 103042919
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 81145012
1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103039701

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol (CID 103039717) is 1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol is CCOC(CC)(CC)C(O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol?
The InChIKey is DVBBXMRCZJJTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFO2/c1-4-15(5-2,19-6-3)14(18)10-11-7-8-13(17)12(16)9-11/h7-9,14,18H,4-6,10H2,1-3H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol?
1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol has a molecular weight of 288.79 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-ethoxy-3-ethylpentan-2-ol is sourced from PubChem (CID 103039717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).