(2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol

C12H15BrO3 — CID 61087765

IUPAC(2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol
SMILESCOc1cc(Br)c(C(O)C2CC2)cc1OC
InChIInChI=1S/C12H15BrO3/c1-15-10-5-8(12(14)7-3-4-7)9(13)6-11(10)16-2/h5-7,12,14H,3-4H2,1-2H3
InChIKeyIXFZWVXSKXBTJQ-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.91
Rot. Bonds4

About (2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol

(2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol (PubChem CID 61087765) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol
PubChem CID61087765
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol
SMILESCOc1cc(Br)c(C(O)C2CC2)cc1OC
InChIInChI=1S/C12H15BrO3/c1-15-10-5-8(12(14)7-3-4-7)9(13)6-11(10)16-2/h5-7,12,14H,3-4H2,1-2H3
InChIKeyIXFZWVXSKXBTJQ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4,5-dimethoxyphenyl)-2-cyclopropylacetic acid
CID 175668604
(4-bromo-2,5-dimethoxyphenyl)-cyclohexylmethanol
CID 105056972
(1R,2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)-1-cyclobutylethanol;hydrochloride
CID 171266633
(2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762979
cycloheptyl-(2,4,5-trimethoxyphenyl)methanol
CID 82932669
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 55134769
(1S,2R)-1-amino-1-(2-bromo-4,5-dimethoxyphenyl)propan-2-ol
CID 171266626
(2-bromo-5-methylphenyl)-cyclopropylmethanol
CID 115810293
1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 63509267
1-bromo-2-(1-chloro-2-cyclopentylethyl)-4,5-dimethoxybenzene
CID 63432125

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol (CID 61087765) is (2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol is COc1cc(Br)c(C(O)C2CC2)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol?
The InChIKey is IXFZWVXSKXBTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-15-10-5-8(12(14)7-3-4-7)9(13)6-11(10)16-2/h5-7,12,14H,3-4H2,1-2H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol?
(2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol has a molecular weight of 287.15 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol is sourced from PubChem (CID 61087765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).