1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene

C14H19BrO — CID 58558467

IUPAC1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene
SMILESCCC1(CC)C[C@H]1c1cc(OC)ccc1Br
InChIInChI=1S/C14H19BrO/c1-4-14(5-2)9-12(14)11-8-10(16-3)6-7-13(11)15/h6-8,12H,4-5,9H2,1-3H3/t12-/m0/s1
InChIKeyDNOCFDGIQFUXNZ-LBPRGKRZSA-N
MW283.21 g/mol
LogP4.75
Rot. Bonds4

About 1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene

1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene (PubChem CID 58558467) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene
PubChem CID58558467
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene
SMILESCCC1(CC)C[C@H]1c1cc(OC)ccc1Br
InChIInChI=1S/C14H19BrO/c1-4-14(5-2)9-12(14)11-8-10(16-3)6-7-13(11)15/h6-8,12H,4-5,9H2,1-3H3/t12-/m0/s1
InChIKeyDNOCFDGIQFUXNZ-LBPRGKRZSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 59837550
trans-(1S,2S)-2-(2-bromo-5-methoxyphenyl)-1-ethoxycarbonylcyclopropane-1-carboxylic acid
CID 124562456
3-(2-bromo-5-methoxyphenyl)oxetane
CID 172992069
(2S)-2-(2-bromo-5-methoxyphenyl)piperazine;hydrochloride
CID 171193714
3-(2-bromo-5-methoxyphenyl)pyrrolidine
CID 83730911
cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine
CID 10358996
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66026670
2,2-diethyl-6-methoxy-N-methyl-3,4-dihydrochromen-4-amine
CID 82462579
3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one
CID 104679407
1-bromo-2-[(3-bromo-1-methylcyclopentyl)methyl]-4-methoxybenzene
CID 116540736
(4R)-6-methoxy-2,2-dipropyl-3,4-dihydrochromen-4-ol
CID 104951003
2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane
CID 58752975

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene?
The IUPAC name of 1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene (CID 58558467) is 1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene.
What is the SMILES notation for 1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene?
The canonical SMILES for 1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene is CCC1(CC)C[C@H]1c1cc(OC)ccc1Br.
What is the InChIKey of 1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene?
The InChIKey is DNOCFDGIQFUXNZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19BrO/c1-4-14(5-2)9-12(14)11-8-10(16-3)6-7-13(11)15/h6-8,12H,4-5,9H2,1-3H3/t12-/m0/s1.
What are the key properties of 1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene?
1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene has a molecular weight of 283.21 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(1R)-2,2-diethylcyclopropyl]-4-methoxybenzene is sourced from PubChem (CID 58558467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).