3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol

C11H12Cl2O2 — CID 65145520

IUPAC3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol
SMILESOC1(Cc2c(Cl)cccc2Cl)CCOC1
InChIInChI=1S/C11H12Cl2O2/c12-9-2-1-3-10(13)8(9)6-11(14)4-5-15-7-11/h1-3,14H,4-7H2
InChIKeyPUVVHQMXXGCQOP-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.69
Rot. Bonds2

About 3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol

3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol (PubChem CID 65145520) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol
PubChem CID65145520
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol
SMILESOC1(Cc2c(Cl)cccc2Cl)CCOC1
InChIInChI=1S/C11H12Cl2O2/c12-9-2-1-3-10(13)8(9)6-11(14)4-5-15-7-11/h1-3,14H,4-7H2
InChIKeyPUVVHQMXXGCQOP-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

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Related Compounds

3-[(2,6-dichlorophenyl)methyl]oxetan-3-ol
CID 164649436
3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol
CID 65145994
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848486
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848090
3-benzyloxolan-3-ol
CID 63332039
3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol
CID 65146101
3-[(2,6-dichlorophenyl)methyl]-4-oxooxane-3-carboxylic acid
CID 106469877
3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol
CID 107883464
1-[2-[(3-hydroxyoxolan-3-yl)methyl]phenyl]ethanone
CID 105475556
3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65146298
1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936237

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol (CID 65145520) is 3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol is OC1(Cc2c(Cl)cccc2Cl)CCOC1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol?
The InChIKey is PUVVHQMXXGCQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c12-9-2-1-3-10(13)8(9)6-11(14)4-5-15-7-11/h1-3,14H,4-7H2.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol?
3-[(2,6-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-[(2,6-dichlorophenyl)methyl]oxolan-3-ol is sourced from PubChem (CID 65145520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).