3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol

C11H12ClFO2 — CID 107883464

IUPAC3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol
SMILESOC1(Cc2ccc(Cl)c(F)c2)CCOC1
InChIInChI=1S/C11H12ClFO2/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
InChIKeyOEOLOSAKOKNRHZ-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.17
Rot. Bonds2

About 3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol

3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol (PubChem CID 107883464) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol
PubChem CID107883464
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol
SMILESOC1(Cc2ccc(Cl)c(F)c2)CCOC1
InChIInChI=1S/C11H12ClFO2/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
InChIKeyOEOLOSAKOKNRHZ-UHFFFAOYSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol
CID 65145994
3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346
3-[(3-chloro-4-fluorophenyl)methyl]oxan-3-ol
CID 103039030
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416
1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405
4-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethyloxan-4-ol
CID 114012555
3-[(3,4-difluorophenyl)methyl]oxan-3-ol
CID 82919488
4-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)oxane
CID 107893120
[4-[(4-chloro-3-fluorophenyl)methyl]oxan-4-yl]methanamine
CID 107897457
4-[(4-chloro-3-fluorophenyl)methyl]oxane-4-carbonitrile
CID 107898496
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499
3-benzyloxolan-3-ol
CID 63332039

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol?
The IUPAC name of 3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol (CID 107883464) is 3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol is OC1(Cc2ccc(Cl)c(F)c2)CCOC1.
What is the InChIKey of 3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol?
The InChIKey is OEOLOSAKOKNRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/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-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol?
3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol has a molecular weight of 230.67 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol is sourced from PubChem (CID 107883464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).