1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol

C13H17BrO2 — CID 117459099

IUPAC1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol
SMILESCOc1c(Br)c(C)cc(C)c1CC1(O)CC1
InChIInChI=1S/C13H17BrO2/c1-8-6-9(2)11(14)12(16-3)10(8)7-13(15)4-5-13/h6,15H,4-5,7H2,1-3H3
InChIKeyBMPSZXHRPBNEQK-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.14
Rot. Bonds3

About 1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol

1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol (PubChem CID 117459099) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol
PubChem CID117459099
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol
SMILESCOc1c(Br)c(C)cc(C)c1CC1(O)CC1
InChIInChI=1S/C13H17BrO2/c1-8-6-9(2)11(14)12(16-3)10(8)7-13(15)4-5-13/h6,15H,4-5,7H2,1-3H3
InChIKeyBMPSZXHRPBNEQK-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol
CID 117358714
1-[(5-chloro-2-methoxy-3,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354228
1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462925
1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol
CID 117485084
4-(3-bromo-2-methoxy-4,6-dimethylphenyl)butan-1-amine
CID 117461386
1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117490447
1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine
CID 117343091
[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol
CID 116928935
3-bromo-2-methoxy-4,6-dimethylphenol
CID 84694160
1-[(3-bromo-4-methoxy-5-methylsulfanylphenyl)methyl]cyclopropan-1-ol
CID 117488242
6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol
CID 117318324
1-[(2-bromo-3,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462934

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol (CID 117459099) is 1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol is COc1c(Br)c(C)cc(C)c1CC1(O)CC1.
What is the InChIKey of 1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol?
The InChIKey is BMPSZXHRPBNEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-8-6-9(2)11(14)12(16-3)10(8)7-13(15)4-5-13/h6,15H,4-5,7H2,1-3H3.
What are the key properties of 1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol?
1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol has a molecular weight of 285.18 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117459099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).