1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol

C12H15BrO3 — CID 117462959

IUPAC1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol
SMILESCCOc1c(OC)ccc(Br)c1C1(O)CC1
InChIInChI=1S/C12H15BrO3/c1-3-16-11-9(15-2)5-4-8(13)10(11)12(14)6-7-12/h4-5,14H,3,6-7H2,1-2H3
InChIKeyIHBNVEZPLBKRIR-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.84
Rot. Bonds4

About 1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol

1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol (PubChem CID 117462959) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol
PubChem CID117462959
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol
SMILESCCOc1c(OC)ccc(Br)c1C1(O)CC1
InChIInChI=1S/C12H15BrO3/c1-3-16-11-9(15-2)5-4-8(13)10(11)12(14)6-7-12/h4-5,14H,3,6-7H2,1-2H3
InChIKeyIHBNVEZPLBKRIR-UHFFFAOYSA-N
XLogP2.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol
CID 117487902
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
CID 171000857
2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117488224
2-(6-bromo-2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 117467060
2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol
CID 117468570
1-(3-fluoro-2,6-dimethoxyphenyl)cyclopropan-1-ol
CID 117302785
3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol
CID 117466714
1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117419569
2-[2-[(6-bromo-2-ethoxy-3-methoxyphenyl)methylamino]ethylamino]ethanol
CID 66538981
2-ethoxy-3-iodo-1,4-dimethoxybenzene
CID 118824660
2-bromo-1-(2-ethoxy-3-methoxyphenyl)propan-1-one
CID 134618688
1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol
CID 117349200

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol (CID 117462959) is 1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol is CCOc1c(OC)ccc(Br)c1C1(O)CC1.
What is the InChIKey of 1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol?
The InChIKey is IHBNVEZPLBKRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-3-16-11-9(15-2)5-4-8(13)10(11)12(14)6-7-12/h4-5,14H,3,6-7H2,1-2H3.
What are the key properties of 1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol?
1-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol has a molecular weight of 287.15 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-(6-bromo-2-ethoxy-3-methoxyphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117462959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).