1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene

C12H15BrO — CID 68763979

IUPAC1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene
SMILESCc1cc(OCC2CC2)ccc1CBr
InChIInChI=1S/C12H15BrO/c1-9-6-12(5-4-11(9)7-13)14-8-10-2-3-10/h4-6,10H,2-3,7-8H2,1H3
InChIKeyCLRGNWSCUGQSLL-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.68
Rot. Bonds4

About 1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene

1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene (PubChem CID 68763979) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene
PubChem CID68763979
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene
SMILESCc1cc(OCC2CC2)ccc1CBr
InChIInChI=1S/C12H15BrO/c1-9-6-12(5-4-11(9)7-13)14-8-10-2-3-10/h4-6,10H,2-3,7-8H2,1H3
InChIKeyCLRGNWSCUGQSLL-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309
4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline
CID 146356134
4-(cyclopentylmethoxy)-2-methylaniline
CID 26190241
potassium [4-(cyclopropylmethoxy)-2-methylphenyl]-trifluoroboranuide
CID 83140603
1-bromo-3-(cyclopropylmethoxy)benzene;ethane
CID 142361596
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093
2-[2-bromo-4-(cyclopropylmethoxy)phenyl]ethanol
CID 151817566
[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
2-bromo-4-(cyclopropylmethoxy)aniline
CID 97179592
4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine
CID 58748493
2-methyl-4-(oxolan-3-ylmethoxy)aniline
CID 61313415
1-(bromomethyl)-4-(cyclopentylmethoxy)benzene
CID 61343018

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene?
The IUPAC name of 1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene (CID 68763979) is 1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene.
What is the SMILES notation for 1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene?
The canonical SMILES for 1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene is Cc1cc(OCC2CC2)ccc1CBr.
What is the InChIKey of 1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene?
The InChIKey is CLRGNWSCUGQSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-9-6-12(5-4-11(9)7-13)14-8-10-2-3-10/h4-6,10H,2-3,7-8H2,1H3.
What are the key properties of 1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene?
1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene has a molecular weight of 255.15 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene is sourced from PubChem (CID 68763979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).