[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol

C11H12ClFO2 — CID 114489409

IUPAC[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol
SMILESOCC1CCOC1c1cccc(Cl)c1F
InChIInChI=1S/C11H12ClFO2/c12-9-3-1-2-8(10(9)13)11-7(6-14)4-5-15-11/h1-3,7,11,14H,4-6H2
InChIKeyNTHFZQOKJHXZII-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.55
Rot. Bonds2

About [2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol

[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol (PubChem CID 114489409) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is [2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol
PubChem CID114489409
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol
SMILESOCC1CCOC1c1cccc(Cl)c1F
InChIInChI=1S/C11H12ClFO2/c12-9-3-1-2-8(10(9)13)11-7(6-14)4-5-15-11/h1-3,7,11,14H,4-6H2
InChIKeyNTHFZQOKJHXZII-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol?
The IUPAC name of [2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol (CID 114489409) is [2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol.
What is the SMILES notation for [2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol?
The canonical SMILES for [2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol is OCC1CCOC1c1cccc(Cl)c1F.
What is the InChIKey of [2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol?
The InChIKey is NTHFZQOKJHXZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c12-9-3-1-2-8(10(9)13)11-7(6-14)4-5-15-11/h1-3,7,11,14H,4-6H2.
What are the key properties of [2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol?
[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol has a molecular weight of 230.67 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methanol is sourced from PubChem (CID 114489409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).