1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol

C13H17BrO — CID 81488604

IUPAC1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol
SMILESCCCC1CC1(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C13H17BrO/c1-3-4-11-8-13(11,15)10-6-5-9(2)12(14)7-10/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyQJWFKAGCFUYVNL-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.77
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol

1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol (PubChem CID 81488604) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol
PubChem CID81488604
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol
SMILESCCCC1CC1(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C13H17BrO/c1-3-4-11-8-13(11,15)10-6-5-9(2)12(14)7-10/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyQJWFKAGCFUYVNL-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol (CID 81488604) is 1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol is CCCC1CC1(O)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol?
The InChIKey is QJWFKAGCFUYVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-3-4-11-8-13(11,15)10-6-5-9(2)12(14)7-10/h5-7,11,15H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol?
1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol has a molecular weight of 269.18 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol is sourced from PubChem (CID 81488604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).