1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol

C15H23BrO2 — CID 114212844

IUPAC1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol
SMILESCCOc1ccc(C(O)CCC(C)(C)C)c(Br)c1
InChIInChI=1S/C15H23BrO2/c1-5-18-11-6-7-12(13(16)10-11)14(17)8-9-15(2,3)4/h6-7,10,14,17H,5,8-9H2,1-4H3
InChIKeyBIKLHMYMMMWMGW-UHFFFAOYSA-N
MW315.25 g/mol
LogP4.71
Rot. Bonds5

About 1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol

1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol (PubChem CID 114212844) has the molecular formula C15H23BrO2 and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol
PubChem CID114212844
Molecular FormulaC15H23BrO2
Molecular Weight315.25 g/mol
Exact Mass314.09
IUPAC Name1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol
SMILESCCOc1ccc(C(O)CCC(C)(C)C)c(Br)c1
InChIInChI=1S/C15H23BrO2/c1-5-18-11-6-7-12(13(16)10-11)14(17)8-9-15(2,3)4/h6-7,10,14,17H,5,8-9H2,1-4H3
InChIKeyBIKLHMYMMMWMGW-UHFFFAOYSA-N
XLogP4.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-(2-bromo-4-ethoxyphenyl)-5-hydroxypentanoic acid
CID 114207347
1-(2-bromo-4-methoxyphenyl)octan-1-ol
CID 55199625
1-(2-bromo-4-methoxyphenyl)heptan-1-ol
CID 114753404
(2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol
CID 82890859
[1-(3-ethoxyphenyl)-4,4-dimethylpentyl]hydrazine
CID 105191999
1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 107987565
1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 64567192
1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone
CID 81429202
1-(3-ethoxyphenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035096
1-(3-ethoxyphenyl)-4,4-dimethylpentan-1-amine
CID 55095433
1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine
CID 107001318
1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 105139946

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol (CID 114212844) is 1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol is CCOc1ccc(C(O)CCC(C)(C)C)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol?
The InChIKey is BIKLHMYMMMWMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO2/c1-5-18-11-6-7-12(13(16)10-11)14(17)8-9-15(2,3)4/h6-7,10,14,17H,5,8-9H2,1-4H3.
What are the key properties of 1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol?
1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol has a molecular weight of 315.25 g/mol, XLogP of 4.71, 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-ethoxyphenyl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114212844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).