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

C15H22BrFO2 — CID 116713553

IUPAC1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
SMILESCCOC(C(O)Cc1ccc(F)cc1Br)C(C)(C)C
InChIInChI=1S/C15H22BrFO2/c1-5-19-14(15(2,3)4)13(18)8-10-6-7-11(17)9-12(10)16/h6-7,9,13-14,18H,5,8H2,1-4H3
InChIKeyWOTLAKMOKRKWSB-UHFFFAOYSA-N
MW333.24 g/mol
LogP3.94
Rot. Bonds5

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

1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol (PubChem CID 116713553) has the molecular formula C15H22BrFO2 and a molecular weight of 333.24 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
PubChem CID116713553
Molecular FormulaC15H22BrFO2
Molecular Weight333.24 g/mol
Exact Mass332.08
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
SMILESCCOC(C(O)Cc1ccc(F)cc1Br)C(C)(C)C
InChIInChI=1S/C15H22BrFO2/c1-5-19-14(15(2,3)4)13(18)8-10-6-7-11(17)9-12(10)16/h6-7,9,13-14,18H,5,8H2,1-4H3
InChIKeyWOTLAKMOKRKWSB-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol
CID 116712395
1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
3-(2-bromo-4-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 79496447
1-(2-bromo-4-fluorophenyl)-3-ethoxypentan-2-one
CID 116707531
3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 114347450
3-ethoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 116713469
1-(3-chloro-2-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 102857480
[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202997
1-(2,5-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713299
1-(2-bromo-4-fluorophenyl)-3-ethoxybutan-2-one
CID 64540053
3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol
CID 112575189
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol (CID 116713553) is 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol is CCOC(C(O)Cc1ccc(F)cc1Br)C(C)(C)C.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol?
The InChIKey is WOTLAKMOKRKWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFO2/c1-5-19-14(15(2,3)4)13(18)8-10-6-7-11(17)9-12(10)16/h6-7,9,13-14,18H,5,8H2,1-4H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol?
1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol has a molecular weight of 333.24 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 116713553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).