1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol

C12H15BrO — CID 115803918

IUPAC1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol
SMILESCc1ccc(Br)cc1C(O)CC1CC1
InChIInChI=1S/C12H15BrO/c1-8-2-5-10(13)7-11(8)12(14)6-9-3-4-9/h2,5,7,9,12,14H,3-4,6H2,1H3
InChIKeyRQHIXHMSTUGKFR-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.59
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol

1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol (PubChem CID 115803918) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol
PubChem CID115803918
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol
SMILESCc1ccc(Br)cc1C(O)CC1CC1
InChIInChI=1S/C12H15BrO/c1-8-2-5-10(13)7-11(8)12(14)6-9-3-4-9/h2,5,7,9,12,14H,3-4,6H2,1H3
InChIKeyRQHIXHMSTUGKFR-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol
CID 115789681
(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171223427
1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol
CID 115802584
2-cyclopentyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 62608273
1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831877
1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
CID 115842257
1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol
CID 115829693
1-(4-bromo-2,5-dimethylphenyl)-2-cycloheptylethanol
CID 114458586
2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol
CID 105103480
1-(5-bromo-2-methylphenyl)octan-1-ol
CID 115783049
1-(5-bromo-2-methylphenyl)decan-1-ol
CID 115782829
(5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol
CID 83693932

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol (CID 115803918) is 1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol is Cc1ccc(Br)cc1C(O)CC1CC1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol?
The InChIKey is RQHIXHMSTUGKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-8-2-5-10(13)7-11(8)12(14)6-9-3-4-9/h2,5,7,9,12,14H,3-4,6H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol?
1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol has a molecular weight of 255.15 g/mol, XLogP of 3.59, 3 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)-2-cyclopropylethanol is sourced from PubChem (CID 115803918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).