2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol

C11H13BrO2 — CID 117395622

IUPAC2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol
SMILESCc1cc(O)c(Br)c(C)c1C1(O)CC1
InChIInChI=1S/C11H13BrO2/c1-6-5-8(13)10(12)7(2)9(6)11(14)3-4-11/h5,13-14H,3-4H2,1-2H3
InChIKeyJDQNGHSDZBAQOJ-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.75
Rot. Bonds1

About 2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol

2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol (PubChem CID 117395622) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol.

Molecular Properties

Compound Name2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol
PubChem CID117395622
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol
SMILESCc1cc(O)c(Br)c(C)c1C1(O)CC1
InChIInChI=1S/C11H13BrO2/c1-6-5-8(13)10(12)7(2)9(6)11(14)3-4-11/h5,13-14H,3-4H2,1-2H3
InChIKeyJDQNGHSDZBAQOJ-UHFFFAOYSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-hydroxycyclopropyl)-2,3,5-trimethylphenol
CID 117117396
2-bromo-4-(1-isocyanatocyclopropyl)-3,5-dimethylphenol
CID 117452981
4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol
CID 117428354
1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117311132
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol
CID 117411677
4-bromo-2,3,5-trimethylphenol
CID 3629334
3-fluoro-2-(1-hydroxycyclopropyl)-4-methylphenol
CID 84768678
1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol
CID 84768153
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol
CID 84802774
3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol
CID 84807228
4-fluoro-2-(1-hydroxycyclopropyl)-3-methylphenol
CID 117279111
2-(1-hydroxycyclopentyl)-3-methylphenol
CID 117104122

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol?
The IUPAC name of 2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol (CID 117395622) is 2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol.
What is the SMILES notation for 2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol?
The canonical SMILES for 2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol is Cc1cc(O)c(Br)c(C)c1C1(O)CC1.
What is the InChIKey of 2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol?
The InChIKey is JDQNGHSDZBAQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-6-5-8(13)10(12)7(2)9(6)11(14)3-4-11/h5,13-14H,3-4H2,1-2H3.
What are the key properties of 2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol?
2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol has a molecular weight of 257.13 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol is sourced from PubChem (CID 117395622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).