3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol

C12H15BrO2 — CID 82718020

IUPAC3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H15BrO2/c1-9-12(14,6-7-15-9)8-10-2-4-11(13)5-3-10/h2-5,9,14H,6-8H2,1H3
InChIKeyKTBPCDPHYGYADN-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.53
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol

3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol (PubChem CID 82718020) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol
PubChem CID82718020
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H15BrO2/c1-9-12(14,6-7-15-9)8-10-2-4-11(13)5-3-10/h2-5,9,14H,6-8H2,1H3
InChIKeyKTBPCDPHYGYADN-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4-bromophenyl)methyl]-2-methyloxolan-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

3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717852
3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717323
1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol
CID 60798328
2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol
CID 82719332
3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol
CID 82719452
2-methyl-3-(quinolin-2-ylmethyl)oxolan-3-ol
CID 82718660
3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268416
3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 102857011
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106099130
5-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzamide
CID 107302287
[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol
CID 114535533

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol (CID 82718020) is 3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol?
The InChIKey is KTBPCDPHYGYADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-9-12(14,6-7-15-9)8-10-2-4-11(13)5-3-10/h2-5,9,14H,6-8H2,1H3.
What are the key properties of 3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol?
3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol has a molecular weight of 271.15 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 82718020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).