1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol

C14H21BrO — CID 115829693

IUPAC1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)c1cc(Br)ccc1C
InChIInChI=1S/C14H21BrO/c1-4-11(5-2)8-14(16)13-9-12(15)7-6-10(13)3/h6-7,9,11,14,16H,4-5,8H2,1-3H3
InChIKeySSAWMZWYHDOGST-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.62
Rot. Bonds5

About 1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol

1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol (PubChem CID 115829693) has the molecular formula C14H21BrO and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol
PubChem CID115829693
Molecular FormulaC14H21BrO
Molecular Weight285.23 g/mol
Exact Mass284.08
IUPAC Name1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)c1cc(Br)ccc1C
InChIInChI=1S/C14H21BrO/c1-4-11(5-2)8-14(16)13-9-12(15)7-6-10(13)3/h6-7,9,11,14,16H,4-5,8H2,1-3H3
InChIKeySSAWMZWYHDOGST-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol
CID 82928590
1-(5-bromo-2-methylphenyl)octan-1-ol
CID 115783049
1-(5-bromo-2-methylphenyl)decan-1-ol
CID 115782829
1-(5-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115828321
1-(4-bromo-2-methylphenyl)-3-methylpentan-1-ol
CID 115789238
1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol
CID 115803918
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
1-(2,5-dibromophenyl)-3-methylbutan-1-ol
CID 61100587
[1-(4-bromo-2-methylphenyl)-3-ethylpentyl]hydrazine
CID 105330951
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 115790767

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol (CID 115829693) is 1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol is CCC(CC)CC(O)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol?
The InChIKey is SSAWMZWYHDOGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-4-11(5-2)8-14(16)13-9-12(15)7-6-10(13)3/h6-7,9,11,14,16H,4-5,8H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol?
1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol has a molecular weight of 285.23 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol is sourced from PubChem (CID 115829693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).