2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene

C12H15BrO2 — CID 138473183

IUPAC2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene
SMILESCOCC1(c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C12H15BrO2/c1-14-8-12(5-6-12)9-3-4-11(15-2)10(13)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeySGRCIHNVTBRHOE-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.14
Rot. Bonds4

About 2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene

2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene (PubChem CID 138473183) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene
PubChem CID138473183
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene
SMILESCOCC1(c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C12H15BrO2/c1-14-8-12(5-6-12)9-3-4-11(15-2)10(13)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeySGRCIHNVTBRHOE-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate
CID 175072908
methyl 1-(3-bromo-4-methoxyphenyl)cyclobutane-1-carboxylate
CID 116963863
1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83743390
CID 123885865
CID 123885865
[3-[1-(methoxymethyl)cyclopropyl]phenyl]methanol
CID 117115755
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498388
1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine
CID 106951203
3,3-dibromo-2-(3-bromo-4-methoxyphenyl)oxolane-2-carbonitrile
CID 13097775
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844512
1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene
CID 169228109
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
[1-(3-tert-butyl-4-methoxyphenyl)cyclopropyl]methanamine
CID 82290284

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene?
The IUPAC name of 2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene (CID 138473183) is 2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene.
What is the SMILES notation for 2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene?
The canonical SMILES for 2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene is COCC1(c2ccc(OC)c(Br)c2)CC1.
What is the InChIKey of 2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene?
The InChIKey is SGRCIHNVTBRHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-14-8-12(5-6-12)9-3-4-11(15-2)10(13)7-9/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene?
2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene has a molecular weight of 271.15 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene is sourced from PubChem (CID 138473183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).