1-(3,5-dibromophenyl)-2-ethylbutan-1-ol

C12H16Br2O — CID 107978546

IUPAC1-(3,5-dibromophenyl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H16Br2O/c1-3-8(4-2)12(15)9-5-10(13)7-11(14)6-9/h5-8,12,15H,3-4H2,1-2H3
InChIKeySPPJEZFEYQPPME-UHFFFAOYSA-N
MW336.07 g/mol
LogP4.68
Rot. Bonds4

About 1-(3,5-dibromophenyl)-2-ethylbutan-1-ol

1-(3,5-dibromophenyl)-2-ethylbutan-1-ol (PubChem CID 107978546) has the molecular formula C12H16Br2O and a molecular weight of 336.07 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-2-ethylbutan-1-ol
PubChem CID107978546
Molecular FormulaC12H16Br2O
Molecular Weight336.07 g/mol
Exact Mass333.96
IUPAC Name1-(3,5-dibromophenyl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H16Br2O/c1-3-8(4-2)12(15)9-5-10(13)7-11(14)6-9/h5-8,12,15H,3-4H2,1-2H3
InChIKeySPPJEZFEYQPPME-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.07
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 63894692
1,3-dibromo-5-butan-2-ylbenzene
CID 54340883
1-(3,5-dibromophenyl)butan-1-ol
CID 107978200
(1R)-1-[3-bromo-5-[(1R)-1-hydroxyethyl]phenyl]ethanol
CID 101105298
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
1-(3-bromo-5-ethylphenyl)ethanol
CID 84692416
2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol
CID 61082952
1-(4-tert-butylphenyl)-2-ethylbutan-1-ol
CID 63426874
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
3-amino-1-(3-bromo-5-methylphenyl)propane-1,2-diol
CID 170829300
2-ethyl-1-(4-phenylphenyl)butan-1-ol
CID 63425864
1-(3-bromo-5-methylphenyl)ethanol
CID 84680750

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-2-ethylbutan-1-ol?
The IUPAC name of 1-(3,5-dibromophenyl)-2-ethylbutan-1-ol (CID 107978546) is 1-(3,5-dibromophenyl)-2-ethylbutan-1-ol.
What is the SMILES notation for 1-(3,5-dibromophenyl)-2-ethylbutan-1-ol?
The canonical SMILES for 1-(3,5-dibromophenyl)-2-ethylbutan-1-ol is CCC(CC)C(O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromophenyl)-2-ethylbutan-1-ol?
The InChIKey is SPPJEZFEYQPPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2O/c1-3-8(4-2)12(15)9-5-10(13)7-11(14)6-9/h5-8,12,15H,3-4H2,1-2H3.
What are the key properties of 1-(3,5-dibromophenyl)-2-ethylbutan-1-ol?
1-(3,5-dibromophenyl)-2-ethylbutan-1-ol has a molecular weight of 336.07 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-2-ethylbutan-1-ol is sourced from PubChem (CID 107978546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).