1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol

C13H17BrO3 — CID 117485084

IUPAC1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol
SMILESCOc1cc(CC2(O)CC2)c(OC)c(Br)c1C
InChIInChI=1S/C13H17BrO3/c1-8-10(16-2)6-9(7-13(15)4-5-13)12(17-3)11(8)14/h6,15H,4-5,7H2,1-3H3
InChIKeyUJHBYGRZYXMNGM-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.84
Rot. Bonds4

About 1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol

1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol (PubChem CID 117485084) has the molecular formula C13H17BrO3 and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol
PubChem CID117485084
Molecular FormulaC13H17BrO3
Molecular Weight301.18 g/mol
Exact Mass300.04
IUPAC Name1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol
SMILESCOc1cc(CC2(O)CC2)c(OC)c(Br)c1C
InChIInChI=1S/C13H17BrO3/c1-8-10(16-2)6-9(7-13(15)4-5-13)12(17-3)11(8)14/h6,15H,4-5,7H2,1-3H3
InChIKeyUJHBYGRZYXMNGM-UHFFFAOYSA-N
XLogP2.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117490447
1-[(2-bromo-3,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462934
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)propanoic acid
CID 117488026
1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117459103
1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117349180
1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117459099
6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol
CID 117318324
1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354215
1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462925
1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117379471
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
1-[(5-ethoxy-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-ol
CID 117345254

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol (CID 117485084) is 1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol is COc1cc(CC2(O)CC2)c(OC)c(Br)c1C.
What is the InChIKey of 1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol?
The InChIKey is UJHBYGRZYXMNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO3/c1-8-10(16-2)6-9(7-13(15)4-5-13)12(17-3)11(8)14/h6,15H,4-5,7H2,1-3H3.
What are the key properties of 1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol?
1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol has a molecular weight of 301.18 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117485084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).