1-(3-bromo-2-methoxyphenyl)propan-2-ol

C10H13BrO2 — CID 83675437

IUPAC1-(3-bromo-2-methoxyphenyl)propan-2-ol
SMILESCOc1c(Br)cccc1CC(C)O
InChIInChI=1S/C10H13BrO2/c1-7(12)6-8-4-3-5-9(11)10(8)13-2/h3-5,7,12H,6H2,1-2H3
InChIKeyXOMABBGYEDTDBS-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.38
Rot. Bonds3

About 1-(3-bromo-2-methoxyphenyl)propan-2-ol

1-(3-bromo-2-methoxyphenyl)propan-2-ol (PubChem CID 83675437) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(3-bromo-2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2-methoxyphenyl)propan-2-ol
PubChem CID83675437
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-(3-bromo-2-methoxyphenyl)propan-2-ol
SMILESCOc1c(Br)cccc1CC(C)O
InChIInChI=1S/C10H13BrO2/c1-7(12)6-8-4-3-5-9(11)10(8)13-2/h3-5,7,12H,6H2,1-2H3
InChIKeyXOMABBGYEDTDBS-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-2-methoxyphenyl)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

1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339947
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
CID 95757294
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622
1-(2-methoxy-3-pentoxyphenyl)propan-2-ol
CID 82160918
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-bromo-2-methoxy-3-(nitrosomethyl)benzene
CID 88892699
1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine
CID 82623586
1-(7-bromo-1-methylindol-3-yl)propan-2-ol
CID 83675918
1-bromo-2-methoxy-3-propan-2-ylbenzene
CID 11333670
(1S)-N-[(3-bromo-2-methoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 97102481
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol
CID 115005698
1-(2,3-dimethoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117438463

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(3-bromo-2-methoxyphenyl)propan-2-ol (CID 83675437) is 1-(3-bromo-2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-2-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromo-2-methoxyphenyl)propan-2-ol is COc1c(Br)cccc1CC(C)O.
What is the InChIKey of 1-(3-bromo-2-methoxyphenyl)propan-2-ol?
The InChIKey is XOMABBGYEDTDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-7(12)6-8-4-3-5-9(11)10(8)13-2/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methoxyphenyl)propan-2-ol?
1-(3-bromo-2-methoxyphenyl)propan-2-ol has a molecular weight of 245.12 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 83675437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).