(1R)-1-(4-bromophenyl)-2-methoxyethanol

C9H11BrO2 — CID 14940709

IUPAC(1R)-1-(4-bromophenyl)-2-methoxyethanol
SMILESCOC[C@H](O)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrO2/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5,9,11H,6H2,1H3/t9-/m0/s1
InChIKeyONZWMBGIRRUIRZ-VIFPVBQESA-N
MW231.09 g/mol
LogP2.13
Rot. Bonds3

About (1R)-1-(4-bromophenyl)-2-methoxyethanol

(1R)-1-(4-bromophenyl)-2-methoxyethanol (PubChem CID 14940709) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-2-methoxyethanol.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-2-methoxyethanol
PubChem CID14940709
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name(1R)-1-(4-bromophenyl)-2-methoxyethanol
SMILESCOC[C@H](O)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrO2/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5,9,11H,6H2,1H3/t9-/m0/s1
InChIKeyONZWMBGIRRUIRZ-VIFPVBQESA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-aminooxy-1-(4-bromophenyl)ethanol
CID 82115920
benzene;2-methoxy-1-phenylethanol
CID 174622919
1-[4-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479
1-(3-bromo-4-methylphenyl)-2-methoxyethanol
CID 115819132
1-(4-bromophenyl)-2-[2-methoxyethyl(methyl)amino]ethanol
CID 110935898
(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone
CID 173353549
1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103190
1-(3-bromo-5-chlorophenyl)-2-methoxyethanol
CID 107947641
methyl 2-(4-bromophenyl)-3-methoxypropanoate
CID 117245340
1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 62617478
1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol
CID 110936012

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-2-methoxyethanol?
The IUPAC name of (1R)-1-(4-bromophenyl)-2-methoxyethanol (CID 14940709) is (1R)-1-(4-bromophenyl)-2-methoxyethanol.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-2-methoxyethanol?
The canonical SMILES for (1R)-1-(4-bromophenyl)-2-methoxyethanol is COC[C@H](O)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-2-methoxyethanol?
The InChIKey is ONZWMBGIRRUIRZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11BrO2/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5,9,11H,6H2,1H3/t9-/m0/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-2-methoxyethanol?
(1R)-1-(4-bromophenyl)-2-methoxyethanol has a molecular weight of 231.09 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-2-methoxyethanol is sourced from PubChem (CID 14940709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).