1-(3-bromo-4-methylphenoxy)propan-2-ol

C10H13BrO2 — CID 130815670

IUPAC1-(3-bromo-4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(C)O)cc1Br
InChIInChI=1S/C10H13BrO2/c1-7-3-4-9(5-10(7)11)13-6-8(2)12/h3-5,8,12H,6H2,1-2H3
InChIKeySBTXWCXXHNRRMH-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.52
Rot. Bonds3

About 1-(3-bromo-4-methylphenoxy)propan-2-ol

1-(3-bromo-4-methylphenoxy)propan-2-ol (PubChem CID 130815670) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenoxy)propan-2-ol
PubChem CID130815670
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-(3-bromo-4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(C)O)cc1Br
InChIInChI=1S/C10H13BrO2/c1-7-3-4-9(5-10(7)11)13-6-8(2)12/h3-5,8,12H,6H2,1-2H3
InChIKeySBTXWCXXHNRRMH-UHFFFAOYSA-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

Analyze 1-(3-bromo-4-methylphenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(4-bromo-3-methylphenoxy)propan-2-ol
CID 106933180
1-(4-amino-3-methylphenoxy)propan-2-ol;hydrochloride
CID 155822229
2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene
CID 166607692
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074
2-(3-bromo-4-methylphenoxy)propanoic acid
CID 131031677
(2R)-2-(3-bromo-4-methylphenoxy)propanoic acid
CID 130962484
1-[3,5-dibromo-4-[2-[2,6-dibromo-4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 158241678
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
2-bromo-1-methyl-4-prop-2-ynoxybenzene
CID 131137666
2-bromo-1-methyl-4-(2,2,2-trifluoroethoxy)benzene
CID 130995615
2-bromo-4-butan-2-yloxy-1-methylbenzene
CID 127004858
1-(2,6-dibromo-4-methylphenoxy)propan-2-ol
CID 129065841

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(3-bromo-4-methylphenoxy)propan-2-ol (CID 130815670) is 1-(3-bromo-4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3-bromo-4-methylphenoxy)propan-2-ol is Cc1ccc(OCC(C)O)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenoxy)propan-2-ol?
The InChIKey is SBTXWCXXHNRRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-7-3-4-9(5-10(7)11)13-6-8(2)12/h3-5,8,12H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenoxy)propan-2-ol?
1-(3-bromo-4-methylphenoxy)propan-2-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 1-(3-bromo-4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 130815670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).