3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol

C11H13BrO3S — CID 156543524

IUPAC3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol
SMILESCOc1ccc(Br)cc1SCC1(O)COC1
InChIInChI=1S/C11H13BrO3S/c1-14-9-3-2-8(12)4-10(9)16-7-11(13)5-15-6-11/h2-4,13H,5-7H2,1H3
InChIKeyPRQWANSWVVSFDV-UHFFFAOYSA-N
MW305.19 g/mol
LogP2.31
Rot. Bonds4

About 3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol

3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol (PubChem CID 156543524) has the molecular formula C11H13BrO3S and a molecular weight of 305.19 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol
PubChem CID156543524
Molecular FormulaC11H13BrO3S
Molecular Weight305.19 g/mol
Exact Mass303.98
IUPAC Name3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol
SMILESCOc1ccc(Br)cc1SCC1(O)COC1
InChIInChI=1S/C11H13BrO3S/c1-14-9-3-2-8(12)4-10(9)16-7-11(13)5-15-6-11/h2-4,13H,5-7H2,1H3
InChIKeyPRQWANSWVVSFDV-UHFFFAOYSA-N
XLogP2.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-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

4-bromo-2-tert-butylsulfanyl-1-methoxybenzene
CID 156543346
methyl 2-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]acetate
CID 116873444
3-(5-bromo-2-methoxyphenyl)-3-methoxyoxetane
CID 116875930
[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874725
[3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol
CID 117035253
ethyl 3-(5-bromo-2-methoxyphenyl)oxetane-3-carboxylate
CID 116875798
5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxybenzenesulfonamide
CID 103848139
4-bromo-2-(3,3-difluorocyclobutyl)sulfanyl-1-methoxybenzene
CID 156543234
N-(5-bromo-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185194
3-[(5-bromo-2-methoxyphenyl)methyl]oxetane-3-carbonitrile
CID 116929943
4-(5-bromo-2-methoxyphenyl)sulfanyl-N-carbamoylbutanamide
CID 122142252
1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropane-1-carboxylic acid
CID 116874689

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol (CID 156543524) is 3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol is COc1ccc(Br)cc1SCC1(O)COC1.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol?
The InChIKey is PRQWANSWVVSFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3S/c1-14-9-3-2-8(12)4-10(9)16-7-11(13)5-15-6-11/h2-4,13H,5-7H2,1H3.
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol?
3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol has a molecular weight of 305.19 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol is sourced from PubChem (CID 156543524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).