1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene

C13H17BrO — CID 65008525

IUPAC1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene
SMILESCc1cccc(OCC2(CBr)CC2)c1C
InChIInChI=1S/C13H17BrO/c1-10-4-3-5-12(11(10)2)15-9-13(8-14)6-7-13/h3-5H,6-9H2,1-2H3
InChIKeySTZZLZRQNNICHL-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.86
Rot. Bonds4

About 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene

1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene (PubChem CID 65008525) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene
PubChem CID65008525
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene
SMILESCc1cccc(OCC2(CBr)CC2)c1C
InChIInChI=1S/C13H17BrO/c1-10-4-3-5-12(11(10)2)15-9-13(8-14)6-7-13/h3-5H,6-9H2,1-2H3
InChIKeySTZZLZRQNNICHL-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.86
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-[[1-(bromomethyl)cyclobutyl]methoxy]-2-fluoro-3-methylbenzene
CID 107657626
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2-fluoro-3-methylbenzene
CID 107657637
1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol
CID 155896822
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene
CID 65008523
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65008684
1-(3-bromopropoxy)-2,3-dimethylbenzene
CID 6483771
1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
CID 65008634
2-(2,3-dimethylphenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716344
4-(bromomethyl)-4-[(2-ethylphenoxy)methyl]oxane
CID 65004786
1-[2-[[4-(bromomethyl)oxan-4-yl]methoxy]phenyl]ethanone
CID 65004785
4-(bromomethyl)-4-[(2,3-difluorophenoxy)methyl]oxane
CID 65004281
2-[1-[(2-fluoro-3-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 107661550

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene (CID 65008525) is 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene is Cc1cccc(OCC2(CBr)CC2)c1C.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene?
The InChIKey is STZZLZRQNNICHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-10-4-3-5-12(11(10)2)15-9-13(8-14)6-7-13/h3-5H,6-9H2,1-2H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene?
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene has a molecular weight of 269.18 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene is sourced from PubChem (CID 65008525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).