1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol

C13H17BrO2 — CID 117459103

IUPAC1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol
SMILESCCc1cc(Br)c(OC)c(CC2(O)CC2)c1
InChIInChI=1S/C13H17BrO2/c1-3-9-6-10(8-13(15)4-5-13)12(16-2)11(14)7-9/h6-7,15H,3-5,8H2,1-2H3
InChIKeyPYZCPMGZKVAGNA-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.09
Rot. Bonds4

About 1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol

1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol (PubChem CID 117459103) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol
PubChem CID117459103
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol
SMILESCCc1cc(Br)c(OC)c(CC2(O)CC2)c1
InChIInChI=1S/C13H17BrO2/c1-3-9-6-10(8-13(15)4-5-13)12(16-2)11(14)7-9/h6-7,15H,3-5,8H2,1-2H3
InChIKeyPYZCPMGZKVAGNA-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-4-methoxy-5-methylsulfanylphenyl)methyl]cyclopropan-1-ol
CID 117488242
1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117490447
1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol
CID 117485084
1-[(2-bromo-3,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462934
3-bromo-5-ethyl-2-methoxybenzoic acid
CID 50882139
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117425603
1-[(2,3,4-trimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117349180
6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol
CID 117318324
1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117459099
1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354215
1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117297692

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol (CID 117459103) is 1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol is CCc1cc(Br)c(OC)c(CC2(O)CC2)c1.
What is the InChIKey of 1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol?
The InChIKey is PYZCPMGZKVAGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-3-9-6-10(8-13(15)4-5-13)12(16-2)11(14)7-9/h6-7,15H,3-5,8H2,1-2H3.
What are the key properties of 1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol?
1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol has a molecular weight of 285.18 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117459103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).