(2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol

C12H17BrO — CID 130371455

IUPAC(2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol
SMILESCCc1cccc(Br)c1C[C@@H](C)CO
InChIInChI=1S/C12H17BrO/c1-3-10-5-4-6-12(13)11(10)7-9(2)8-14/h4-6,9,14H,3,7-8H2,1-2H3/t9-/m1/s1
InChIKeyCPYKLPKNMUTBQE-SECBINFHSA-N
MW257.17 g/mol
LogP3.18
Rot. Bonds4

About (2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol

(2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol (PubChem CID 130371455) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is (2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol
PubChem CID130371455
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name(2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol
SMILESCCc1cccc(Br)c1C[C@@H](C)CO
InChIInChI=1S/C12H17BrO/c1-3-10-5-4-6-12(13)11(10)7-9(2)8-14/h4-6,9,14H,3,7-8H2,1-2H3/t9-/m1/s1
InChIKeyCPYKLPKNMUTBQE-SECBINFHSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-ethylphenyl)-2-methylpropan-1-ol
CID 23398441
1-bromo-2-(bromomethyl)-3-ethylbenzene;ethane
CID 123787449
3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol
CID 123796144
N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine
CID 143634840
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
CID 95757294
2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol
CID 66060049
2-[(2-bromophenyl)methyl]-4-methylhexanoic acid
CID 63401905
1,3-dibromo-2-(3-methylpentyl)benzene
CID 59009897
1-(2,3-diethylphenyl)propan-2-amine
CID 175188525
3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid
CID 84738183
1-(2-bromophenyl)-2-methylpentan-3-one
CID 10967063
(2R)-2-amino-2-(2-ethyl-6-fluorophenyl)ethanol
CID 130648488

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol?
The IUPAC name of (2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol (CID 130371455) is (2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for (2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for (2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol is CCc1cccc(Br)c1C[C@@H](C)CO.
What is the InChIKey of (2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol?
The InChIKey is CPYKLPKNMUTBQE-SECBINFHSA-N. The full InChI is InChI=1S/C12H17BrO/c1-3-10-5-4-6-12(13)11(10)7-9(2)8-14/h4-6,9,14H,3,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol?
(2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol has a molecular weight of 257.17 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 130371455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).