1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol

C13H17BrO — CID 115810923

IUPAC1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol
SMILESCc1ccc(C(O)CCC2CC2)cc1Br
InChIInChI=1S/C13H17BrO/c1-9-2-6-11(8-12(9)14)13(15)7-5-10-3-4-10/h2,6,8,10,13,15H,3-5,7H2,1H3
InChIKeyOHDILXHXPWLLJV-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.98
Rot. Bonds4

About 1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol

1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol (PubChem CID 115810923) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol
PubChem CID115810923
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol
SMILESCc1ccc(C(O)CCC2CC2)cc1Br
InChIInChI=1S/C13H17BrO/c1-9-2-6-11(8-12(9)14)13(15)7-5-10-3-4-10/h2,6,8,10,13,15H,3-5,7H2,1H3
InChIKeyOHDILXHXPWLLJV-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-chlorophenyl)-3-cyclopropylpropan-1-ol
CID 115566287
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
1-(3-bromo-4-methylphenyl)octan-1-ol
CID 115783206
1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834621
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
3-cyclopropyl-1-(2-methyl-4-pyridinyl)propan-1-ol
CID 106756240
2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride
CID 178200438
(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine
CID 130618346
1-(3-bromo-4-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780268
1-(3-bromo-4-methylphenyl)-2-methoxyethanol
CID 115819132
1-(4-aminophenyl)-3-cyclopropylpropan-1-ol
CID 106695552
(1S)-1-(3-bromo-4-methylphenyl)-2-(chloroamino)ethanol
CID 58666985

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol (CID 115810923) is 1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol is Cc1ccc(C(O)CCC2CC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol?
The InChIKey is OHDILXHXPWLLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-9-2-6-11(8-12(9)14)13(15)7-5-10-3-4-10/h2,6,8,10,13,15H,3-5,7H2,1H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol?
1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol has a molecular weight of 269.18 g/mol, XLogP of 3.98, 4 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)-3-cyclopropylpropan-1-ol is sourced from PubChem (CID 115810923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).