2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol

C13H15BrO — CID 10858443

IUPAC2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol
SMILESCc1ccc(C)c(C2(O)CCC=C2Br)c1
InChIInChI=1S/C13H15BrO/c1-9-5-6-10(2)11(8-9)13(15)7-3-4-12(13)14/h4-6,8,15H,3,7H2,1-2H3
InChIKeyXYSUMVCILSZRDH-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.56
Rot. Bonds1

About 2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol

2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol (PubChem CID 10858443) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol
PubChem CID10858443
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol
SMILESCc1ccc(C)c(C2(O)CCC=C2Br)c1
InChIInChI=1S/C13H15BrO/c1-9-5-6-10(2)11(8-9)13(15)7-3-4-12(13)14/h4-6,8,15H,3,7H2,1-2H3
InChIKeyXYSUMVCILSZRDH-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)cycloheptan-1-ol
CID 62548506
1-(2,5-dimethylphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79863052
3-(2,5-dimethylphenyl)-2-methylpyrrolidin-3-ol
CID 3051399
1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol
CID 113414594
1-(2,5-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 82609045
1-(2,5-dimethylphenyl)-2-phenylcyclohexan-1-ol
CID 63407170
3-(2,5-dimethylphenyl)-1-ethylpyrrolidin-3-ol
CID 165403438
5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene]
CID 143183690
2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene
CID 116540790
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
4-(2,5-dimethylphenyl)-4-fluoropiperidine
CID 112563134
2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol
CID 63406702

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol?
The IUPAC name of 2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol (CID 10858443) is 2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol.
What is the SMILES notation for 2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol?
The canonical SMILES for 2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol is Cc1ccc(C)c(C2(O)CCC=C2Br)c1.
What is the InChIKey of 2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol?
The InChIKey is XYSUMVCILSZRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-9-5-6-10(2)11(8-9)13(15)7-3-4-12(13)14/h4-6,8,15H,3,7H2,1-2H3.
What are the key properties of 2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol?
2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol has a molecular weight of 267.17 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,5-dimethylphenyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 10858443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).