1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene

C12H17BrO — CID 124500582

IUPAC1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene
SMILESCCO[C@@H](c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C12H17BrO/c1-4-14-12(9(2)3)10-5-7-11(13)8-6-10/h5-9,12H,4H2,1-3H3/t12-/m1/s1
InChIKeyUTFDDCVDAKPODL-GFCCVEGCSA-N
MW257.17 g/mol
LogP4.18
Rot. Bonds4

About 1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene

1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene (PubChem CID 124500582) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene
PubChem CID124500582
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene
SMILESCCO[C@@H](c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C12H17BrO/c1-4-14-12(9(2)3)10-5-7-11(13)8-6-10/h5-9,12H,4H2,1-3H3/t12-/m1/s1
InChIKeyUTFDDCVDAKPODL-GFCCVEGCSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-(1-ethoxy-2-iodoethyl)benzene
CID 114771904
N-[1-(4-bromophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548377
1-(4-bromophenyl)-1-(2-methylpropoxy)butan-2-amine
CID 55015797
ethyl 2-(4-bromophenyl)-2-ethoxyacetate
CID 12714669
1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283082
1-(4-bromophenyl)-1-heptoxypropan-2-amine
CID 63460089
1-bromo-4-(1-chloropropyl)benzene
CID 43114960
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine
CID 79548028
1-(4-bromophenyl)-1-(2-methoxyethoxy)butan-2-amine
CID 55015747
1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine
CID 103486933
1-bromo-4-(1-chloro-3-methylpentyl)benzene
CID 114875996

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene?
The IUPAC name of 1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene (CID 124500582) is 1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene.
What is the SMILES notation for 1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene?
The canonical SMILES for 1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene is CCO[C@@H](c1ccc(Br)cc1)C(C)C.
What is the InChIKey of 1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene?
The InChIKey is UTFDDCVDAKPODL-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17BrO/c1-4-14-12(9(2)3)10-5-7-11(13)8-6-10/h5-9,12H,4H2,1-3H3/t12-/m1/s1.
What are the key properties of 1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene?
1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene has a molecular weight of 257.17 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(1R)-1-ethoxy-2-methylpropyl]benzene is sourced from PubChem (CID 124500582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).