2-bromo-5-(cyclopropylmethoxymethyl)phenol

C11H13BrO2 — CID 177057297

IUPAC2-bromo-5-(cyclopropylmethoxymethyl)phenol
SMILESOc1cc(COCC2CC2)ccc1Br
InChIInChI=1S/C11H13BrO2/c12-10-4-3-9(5-11(10)13)7-14-6-8-1-2-8/h3-5,8,13H,1-2,6-7H2
InChIKeyPICKGQGUKZASRK-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.08
Rot. Bonds4

About 2-bromo-5-(cyclopropylmethoxymethyl)phenol

2-bromo-5-(cyclopropylmethoxymethyl)phenol (PubChem CID 177057297) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylmethoxymethyl)phenol.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylmethoxymethyl)phenol
PubChem CID177057297
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name2-bromo-5-(cyclopropylmethoxymethyl)phenol
SMILESOc1cc(COCC2CC2)ccc1Br
InChIInChI=1S/C11H13BrO2/c12-10-4-3-9(5-11(10)13)7-14-6-8-1-2-8/h3-5,8,13H,1-2,6-7H2
InChIKeyPICKGQGUKZASRK-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene
CID 66322231
[3-bromo-4-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929795
2-chloro-5-(cyclopropylmethoxymethyl)aniline
CID 43349982
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
2-bromo-5-(oxolan-3-ylmethoxymethyl)aniline
CID 115557537
1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide
CID 68767831
2-[4-(cyclopropylmethoxymethyl)phenyl]acetic acid
CID 105344863
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
1-(cyclopropylmethoxymethyl)-4-(2-methylpropyl)benzene
CID 146471368
3-bromo-4-(cyclopropylmethoxymethyl)benzoic acid
CID 102765407
4-(cyclopentylmethoxymethyl)benzonitrile
CID 66323484
[5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid
CID 66324024

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylmethoxymethyl)phenol?
The IUPAC name of 2-bromo-5-(cyclopropylmethoxymethyl)phenol (CID 177057297) is 2-bromo-5-(cyclopropylmethoxymethyl)phenol.
What is the SMILES notation for 2-bromo-5-(cyclopropylmethoxymethyl)phenol?
The canonical SMILES for 2-bromo-5-(cyclopropylmethoxymethyl)phenol is Oc1cc(COCC2CC2)ccc1Br.
What is the InChIKey of 2-bromo-5-(cyclopropylmethoxymethyl)phenol?
The InChIKey is PICKGQGUKZASRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c12-10-4-3-9(5-11(10)13)7-14-6-8-1-2-8/h3-5,8,13H,1-2,6-7H2.
What are the key properties of 2-bromo-5-(cyclopropylmethoxymethyl)phenol?
2-bromo-5-(cyclopropylmethoxymethyl)phenol has a molecular weight of 257.13 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylmethoxymethyl)phenol is sourced from PubChem (CID 177057297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).