3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol

C11H12Cl2O2 — CID 65145994

IUPAC3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol
SMILESOC1(Cc2ccc(Cl)c(Cl)c2)CCOC1
InChIInChI=1S/C11H12Cl2O2/c12-9-2-1-8(5-10(9)13)6-11(14)3-4-15-7-11/h1-2,5,14H,3-4,6-7H2
InChIKeyGFCKPVVLPZFMMZ-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.69
Rot. Bonds2

About 3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol

3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol (PubChem CID 65145994) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol
PubChem CID65145994
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol
SMILESOC1(Cc2ccc(Cl)c(Cl)c2)CCOC1
InChIInChI=1S/C11H12Cl2O2/c12-9-2-1-8(5-10(9)13)6-11(14)3-4-15-7-11/h1-2,5,14H,3-4,6-7H2
InChIKeyGFCKPVVLPZFMMZ-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3,4-dichlorophenyl)methyl]oxolan-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-chloro-3-fluorophenyl)methyl]oxolan-3-ol
CID 107883464
3-[(3-chloro-4-fluorophenyl)methyl]oxan-3-ol
CID 103039030
3-benzyloxolan-3-ol
CID 63332039
4-(chloromethyl)-4-[(3,4-dichlorophenyl)methyl]oxane
CID 66035545
3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol
CID 65145520
3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol
CID 65146101
4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol
CID 65149153
3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346
3-[(3,4-dichlorophenyl)methyl]oxane-3-carboxylic acid
CID 55150319
3-[(3,4-difluorophenyl)methyl]oxan-3-ol
CID 82919488
1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene
CID 66033323
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol (CID 65145994) is 3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol is OC1(Cc2ccc(Cl)c(Cl)c2)CCOC1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol?
The InChIKey is GFCKPVVLPZFMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c12-9-2-1-8(5-10(9)13)6-11(14)3-4-15-7-11/h1-2,5,14H,3-4,6-7H2.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol?
3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol has a molecular weight of 247.12 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol is sourced from PubChem (CID 65145994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).