(2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol

C10H13BrO2 — CID 58242000

IUPAC(2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol
SMILESCc1ccc(Br)c(O[C@H](C)CO)c1
InChIInChI=1S/C10H13BrO2/c1-7-3-4-9(11)10(5-7)13-8(2)6-12/h3-5,8,12H,6H2,1-2H3/t8-/m1/s1
InChIKeyNUKYYABLBZEMQR-MRVPVSSYSA-N
MW245.12 g/mol
LogP2.52
Rot. Bonds3

About (2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol

(2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol (PubChem CID 58242000) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is (2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol
PubChem CID58242000
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name(2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol
SMILESCc1ccc(Br)c(O[C@H](C)CO)c1
InChIInChI=1S/C10H13BrO2/c1-7-3-4-9(11)10(5-7)13-8(2)6-12/h3-5,8,12H,6H2,1-2H3/t8-/m1/s1
InChIKeyNUKYYABLBZEMQR-MRVPVSSYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)propan-1-ol
CID 82075061
(2R)-2-(2-fluoro-4-methylphenoxy)propan-1-ol
CID 90121366
4-(2-bromo-4-methylphenoxy)pentan-2-one
CID 64699329
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-1-ol
CID 114266691
(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol
CID 163228830
1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene
CID 58823800
2-bromo-4-methyl-1-pent-4-en-2-yloxybenzene
CID 118325440
2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
2-[2-bromo-4-(propylaminomethyl)phenoxy]propan-1-ol
CID 114266685
4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol
CID 89102627
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol?
The IUPAC name of (2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol (CID 58242000) is (2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol.
What is the SMILES notation for (2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol?
The canonical SMILES for (2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol is Cc1ccc(Br)c(O[C@H](C)CO)c1.
What is the InChIKey of (2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol?
The InChIKey is NUKYYABLBZEMQR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-7-3-4-9(11)10(5-7)13-8(2)6-12/h3-5,8,12H,6H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol?
(2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol has a molecular weight of 245.12 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromo-5-methylphenoxy)propan-1-ol is sourced from PubChem (CID 58242000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).