3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol

C13H19BrO2 — CID 65327602

IUPAC3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
SMILESCCC(O)(CC)Cc1cc(OC)ccc1Br
InChIInChI=1S/C13H19BrO2/c1-4-13(15,5-2)9-10-8-11(16-3)6-7-12(10)14/h6-8,15H,4-5,9H2,1-3H3
InChIKeyFRGCHPFIXWOVPH-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.55
Rot. Bonds5

About 3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol

3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol (PubChem CID 65327602) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
PubChem CID65327602
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
SMILESCCC(O)(CC)Cc1cc(OC)ccc1Br
InChIInChI=1S/C13H19BrO2/c1-4-13(15,5-2)9-10-8-11(16-3)6-7-12(10)14/h6-8,15H,4-5,9H2,1-3H3
InChIKeyFRGCHPFIXWOVPH-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-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

2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol
CID 66060635
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
CID 66057917
1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol
CID 114228340
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutanoic acid
CID 65322994
3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine
CID 65330931
3-(2-bromo-5-methoxyphenyl)pentan-3-ol
CID 72942483
3-(2-bromo-5-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 65379304
1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 116752716
1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol
CID 65327501
1-bromo-2-[2-(bromomethyl)-2-ethylhexyl]-4-methoxybenzene
CID 66048487
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine
CID 65323672

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol?
The IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol (CID 65327602) is 3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol?
The canonical SMILES for 3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol is CCC(O)(CC)Cc1cc(OC)ccc1Br.
What is the InChIKey of 3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol?
The InChIKey is FRGCHPFIXWOVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-4-13(15,5-2)9-10-8-11(16-3)6-7-12(10)14/h6-8,15H,4-5,9H2,1-3H3.
What are the key properties of 3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol?
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol has a molecular weight of 287.20 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol is sourced from PubChem (CID 65327602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).