(2-bromo-5-methylphenyl)-cyclopropylmethanol

C11H13BrO — CID 115810293

IUPAC(2-bromo-5-methylphenyl)-cyclopropylmethanol
SMILESCc1ccc(Br)c(C(O)C2CC2)c1
InChIInChI=1S/C11H13BrO/c1-7-2-5-10(12)9(6-7)11(13)8-3-4-8/h2,5-6,8,11,13H,3-4H2,1H3
InChIKeyFTEJQPBPUPKCDM-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.20
Rot. Bonds2

About (2-bromo-5-methylphenyl)-cyclopropylmethanol

(2-bromo-5-methylphenyl)-cyclopropylmethanol (PubChem CID 115810293) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-cyclopropylmethanol.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-cyclopropylmethanol
PubChem CID115810293
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name(2-bromo-5-methylphenyl)-cyclopropylmethanol
SMILESCc1ccc(Br)c(C(O)C2CC2)c1
InChIInChI=1S/C11H13BrO/c1-7-2-5-10(12)9(6-7)11(13)8-3-4-8/h2,5-6,8,11,13H,3-4H2,1H3
InChIKeyFTEJQPBPUPKCDM-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-4-methylphenyl)-cycloheptylmethanol
CID 82928098
(2-chloro-4-methylphenyl)-cyclopropylmethanol
CID 58392529
1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol
CID 83988258
cycloheptyl-(2,4-dimethylphenyl)methanol
CID 55199424
3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol
CID 81116743
(2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol
CID 61087765
(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
CID 130612521
cyclobutyl-(2-fluoro-4-methylphenyl)methanol
CID 115837888
(2,5-dibromophenyl)-(1,1-dioxothiolan-3-yl)methanol
CID 64904990
cyclohexyl-(2-fluoro-4-methylphenyl)methanol
CID 115802084
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986405
(1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride
CID 171261695

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-cyclopropylmethanol?
The IUPAC name of (2-bromo-5-methylphenyl)-cyclopropylmethanol (CID 115810293) is (2-bromo-5-methylphenyl)-cyclopropylmethanol.
What is the SMILES notation for (2-bromo-5-methylphenyl)-cyclopropylmethanol?
The canonical SMILES for (2-bromo-5-methylphenyl)-cyclopropylmethanol is Cc1ccc(Br)c(C(O)C2CC2)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-cyclopropylmethanol?
The InChIKey is FTEJQPBPUPKCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-7-2-5-10(12)9(6-7)11(13)8-3-4-8/h2,5-6,8,11,13H,3-4H2,1H3.
What are the key properties of (2-bromo-5-methylphenyl)-cyclopropylmethanol?
(2-bromo-5-methylphenyl)-cyclopropylmethanol has a molecular weight of 241.13 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-cyclopropylmethanol is sourced from PubChem (CID 115810293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).