(2-bromo-4-methylphenyl)-cycloheptylmethanol

C15H21BrO — CID 82928098

IUPAC(2-bromo-4-methylphenyl)-cycloheptylmethanol
SMILESCc1ccc(C(O)C2CCCCCC2)c(Br)c1
InChIInChI=1S/C15H21BrO/c1-11-8-9-13(14(16)10-11)15(17)12-6-4-2-3-5-7-12/h8-10,12,15,17H,2-7H2,1H3
InChIKeyLLCCOOPCYKROBZ-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.76
Rot. Bonds2

About (2-bromo-4-methylphenyl)-cycloheptylmethanol

(2-bromo-4-methylphenyl)-cycloheptylmethanol (PubChem CID 82928098) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-cycloheptylmethanol.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-cycloheptylmethanol
PubChem CID82928098
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name(2-bromo-4-methylphenyl)-cycloheptylmethanol
SMILESCc1ccc(C(O)C2CCCCCC2)c(Br)c1
InChIInChI=1S/C15H21BrO/c1-11-8-9-13(14(16)10-11)15(17)12-6-4-2-3-5-7-12/h8-10,12,15,17H,2-7H2,1H3
InChIKeyLLCCOOPCYKROBZ-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cycloheptyl-(2,4-dimethylphenyl)methanol
CID 55199424
(1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride
CID 171261695
(2-bromo-4-fluorophenyl)-cyclohexylmethanol
CID 91636325
cyclohexyl-(2-fluoro-4-methylphenyl)methanol
CID 115802084
(2-bromo-4-methylphenyl)-cyclohexylmethanamine
CID 114981605
(S)-(2-bromo-4-methylphenyl)-cyclopentylmethanamine
CID 171221683
(2-bromo-5-methylphenyl)-cyclopropylmethanol
CID 115810293
cyclobutyl-(2-fluoro-4-methylphenyl)methanol
CID 115837888
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine
CID 105027710
[1-(2-bromo-4-methylphenyl)-2-cyclopentylethyl]hydrazine
CID 105299035
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027676
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-cycloheptylmethanol?
The IUPAC name of (2-bromo-4-methylphenyl)-cycloheptylmethanol (CID 82928098) is (2-bromo-4-methylphenyl)-cycloheptylmethanol.
What is the SMILES notation for (2-bromo-4-methylphenyl)-cycloheptylmethanol?
The canonical SMILES for (2-bromo-4-methylphenyl)-cycloheptylmethanol is Cc1ccc(C(O)C2CCCCCC2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl)-cycloheptylmethanol?
The InChIKey is LLCCOOPCYKROBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-11-8-9-13(14(16)10-11)15(17)12-6-4-2-3-5-7-12/h8-10,12,15,17H,2-7H2,1H3.
What are the key properties of (2-bromo-4-methylphenyl)-cycloheptylmethanol?
(2-bromo-4-methylphenyl)-cycloheptylmethanol has a molecular weight of 297.24 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-cycloheptylmethanol is sourced from PubChem (CID 82928098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).