1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol

C12H15BrO3 — CID 117462925

IUPAC1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1ccc(OC)c(CC2(O)CC2)c1Br
InChIInChI=1S/C12H15BrO3/c1-15-9-3-4-10(16-2)11(13)8(9)7-12(14)5-6-12/h3-4,14H,5-7H2,1-2H3
InChIKeyXIQCBSJZOYCBLZ-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.53
Rot. Bonds4

About 1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol

1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol (PubChem CID 117462925) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol
PubChem CID117462925
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1ccc(OC)c(CC2(O)CC2)c1Br
InChIInChI=1S/C12H15BrO3/c1-15-9-3-4-10(16-2)11(13)8(9)7-12(14)5-6-12/h3-4,14H,5-7H2,1-2H3
InChIKeyXIQCBSJZOYCBLZ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117384074
3-bromo-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117434988
1-[(2-bromo-3,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462934
3-ethyl-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117318322
1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol
CID 117368497
2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
CID 84810613
2-bromo-3-ethyl-1,4-dimethoxybenzene
CID 84704847
1-[[2-(1-fluoroethyl)-6-methoxyphenyl]methyl]cyclopropan-1-ol
CID 117322144
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
(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
3-(2-bromo-3,6-dimethoxyphenyl)propanal
CID 117435067

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol (CID 117462925) is 1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol is COc1ccc(OC)c(CC2(O)CC2)c1Br.
What is the InChIKey of 1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol?
The InChIKey is XIQCBSJZOYCBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-15-9-3-4-10(16-2)11(13)8(9)7-12(14)5-6-12/h3-4,14H,5-7H2,1-2H3.
What are the key properties of 1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol?
1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol has a molecular weight of 287.15 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117462925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).