3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol

C11H13BrO3 — CID 117434988

IUPAC3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
SMILESCOc1ccc(Br)c(CC2(O)CC2)c1O
InChIInChI=1S/C11H13BrO3/c1-15-9-3-2-8(12)7(10(9)13)6-11(14)4-5-11/h2-3,13-14H,4-6H2,1H3
InChIKeyDQFIZJVTKPKHDT-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.23
Rot. Bonds3

About 3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol

3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol (PubChem CID 117434988) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
PubChem CID117434988
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
SMILESCOc1ccc(Br)c(CC2(O)CC2)c1O
InChIInChI=1S/C11H13BrO3/c1-15-9-3-2-8(12)7(10(9)13)6-11(14)4-5-11/h2-3,13-14H,4-6H2,1H3
InChIKeyDQFIZJVTKPKHDT-UHFFFAOYSA-N
XLogP2.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117318322
1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462925
1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117384074
3-bromo-2-[3-(dimethylamino)propyl]-6-methoxyphenol
CID 170865361
3-bromo-6-methoxy-2-(3-methylbut-2-enyl)phenol
CID 171049127
1-[(2-bromo-3,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462934
2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117468151
3-[(1-hydroxycyclopropyl)methyl]-4-methoxyphenol
CID 117284575
1-(6-bromo-2-hydroxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117462781
(6-bromo-2-hydroxy-3-methoxyphenyl)methyl-triphenylphosphanium
CID 86655560
1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol
CID 117368497
1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117349180

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol?
The IUPAC name of 3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol (CID 117434988) is 3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol.
What is the SMILES notation for 3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol?
The canonical SMILES for 3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol is COc1ccc(Br)c(CC2(O)CC2)c1O.
What is the InChIKey of 3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol?
The InChIKey is DQFIZJVTKPKHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-15-9-3-2-8(12)7(10(9)13)6-11(14)4-5-11/h2-3,13-14H,4-6H2,1H3.
What are the key properties of 3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol?
3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol has a molecular weight of 273.13 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol is sourced from PubChem (CID 117434988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).