1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol

C12H14BrFO3 — CID 117490447

IUPAC1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1c(F)cc(CC2(O)CC2)c(OC)c1Br
InChIInChI=1S/C12H14BrFO3/c1-16-10-7(6-12(15)3-4-12)5-8(14)11(17-2)9(10)13/h5,15H,3-4,6H2,1-2H3
InChIKeyYLKIOPFEEUTRBB-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.67
Rot. Bonds4

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

1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol (PubChem CID 117490447) has the molecular formula C12H14BrFO3 and a molecular weight of 305.14 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
PubChem CID117490447
Molecular FormulaC12H14BrFO3
Molecular Weight305.14 g/mol
Exact Mass304.01
IUPAC Name1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1c(F)cc(CC2(O)CC2)c(OC)c1Br
InChIInChI=1S/C12H14BrFO3/c1-16-10-7(6-12(15)3-4-12)5-8(14)11(17-2)9(10)13/h5,15H,3-4,6H2,1-2H3
InChIKeyYLKIOPFEEUTRBB-UHFFFAOYSA-N
XLogP2.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-2,5-dimethoxy-4-methylphenyl)methyl]cyclopropan-1-ol
CID 117485084
1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol
CID 117117572
1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117459103
1-[(2-bromo-3,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462934
1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117474393
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclopropan-1-ol
CID 117374422
1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437511
1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117459099
1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117425603
1-[(3-bromo-4-methoxy-5-methylsulfanylphenyl)methyl]cyclopropan-1-ol
CID 117488242
3-bromo-5-fluoro-2,4-dimethoxyaniline
CID 84803833
2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid
CID 84811493

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol (CID 117490447) is 1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol is COc1c(F)cc(CC2(O)CC2)c(OC)c1Br.
What is the InChIKey of 1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol?
The InChIKey is YLKIOPFEEUTRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO3/c1-16-10-7(6-12(15)3-4-12)5-8(14)11(17-2)9(10)13/h5,15H,3-4,6H2,1-2H3.
What are the key properties of 1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol?
1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol has a molecular weight of 305.14 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117490447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).