3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol

C12H14ClFO2 — CID 102857011

IUPAC3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H14ClFO2/c1-8-12(15,5-6-16-8)7-9-3-2-4-10(13)11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyINENNTHYDCFYOS-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.56
Rot. Bonds2

About 3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol

3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol (PubChem CID 102857011) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol
PubChem CID102857011
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H14ClFO2/c1-8-12(15,5-6-16-8)7-9-3-2-4-10(13)11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyINENNTHYDCFYOS-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(naphthalen-1-ylmethyl)oxolan-3-ol
CID 82719332
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-ol
CID 82719452
3-[(3-chlorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717323
3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717852
8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 102856927
4-[(3-chloro-2-fluorophenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 102857072
4-[(2,3-dichlorophenyl)methyl]-3-methyloxan-4-ol
CID 114240656
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 102856900
1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 102856985
3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol
CID 82718020
8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol
CID 102857061

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol (CID 102857011) is 3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)Cc1cccc(Cl)c1F.
What is the InChIKey of 3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol?
The InChIKey is INENNTHYDCFYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c1-8-12(15,5-6-16-8)7-9-3-2-4-10(13)11(9)14/h2-4,8,15H,5-7H2,1H3.
What are the key properties of 3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol?
3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol has a molecular weight of 244.69 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 102857011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).