1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol

C15H22ClFO2 — CID 102857480

IUPAC1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
SMILESCCOC(C(O)Cc1cccc(Cl)c1F)C(C)(C)C
InChIInChI=1S/C15H22ClFO2/c1-5-19-14(15(2,3)4)12(18)9-10-7-6-8-11(16)13(10)17/h6-8,12,14,18H,5,9H2,1-4H3
InChIKeyGNPTXSLZJCWOJL-UHFFFAOYSA-N
MW288.79 g/mol
LogP3.83
Rot. Bonds5

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

1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol (PubChem CID 102857480) has the molecular formula C15H22ClFO2 and a molecular weight of 288.79 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
PubChem CID102857480
Molecular FormulaC15H22ClFO2
Molecular Weight288.79 g/mol
Exact Mass288.13
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
SMILESCCOC(C(O)Cc1cccc(Cl)c1F)C(C)(C)C
InChIInChI=1S/C15H22ClFO2/c1-5-19-14(15(2,3)4)12(18)9-10-7-6-8-11(16)13(10)17/h6-8,12,14,18H,5,9H2,1-4H3
InChIKeyGNPTXSLZJCWOJL-UHFFFAOYSA-N
XLogP3.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol 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

1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
1-(3-chloro-2-fluorophenyl)pentane-2,3-diol
CID 103454687
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713299
1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713005
3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 116713469
2-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylbutan-1-ol
CID 102863692
1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
CID 116725191
1-(3-chloro-2-fluorophenyl)-3-ethoxypentan-2-amine
CID 102857957
1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713553
2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol
CID 102867504
[1-(2,3-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 107312791

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol (CID 102857480) is 1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol is CCOC(C(O)Cc1cccc(Cl)c1F)C(C)(C)C.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol?
The InChIKey is GNPTXSLZJCWOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFO2/c1-5-19-14(15(2,3)4)12(18)9-10-7-6-8-11(16)13(10)17/h6-8,12,14,18H,5,9H2,1-4H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol?
1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol has a molecular weight of 288.79 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 102857480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).