(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol

C12H14F2O2 — CID 114826691

IUPAC(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol
SMILESCC1CC(C(O)c2ccc(F)c(F)c2)CO1
InChIInChI=1S/C12H14F2O2/c1-7-4-9(6-16-7)12(15)8-2-3-10(13)11(14)5-8/h2-3,5,7,9,12,15H,4,6H2,1H3
InChIKeyHPWKKYFLPKELER-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.42
Rot. Bonds2

About (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol

(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol (PubChem CID 114826691) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol
PubChem CID114826691
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol
SMILESCC1CC(C(O)c2ccc(F)c(F)c2)CO1
InChIInChI=1S/C12H14F2O2/c1-7-4-9(6-16-7)12(15)8-2-3-10(13)11(14)5-8/h2-3,5,7,9,12,15H,4,6H2,1H3
InChIKeyHPWKKYFLPKELER-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol 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-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826764
(4-chlorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826660
[(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methyl]hydrazine
CID 105305016
(5-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 115820673
2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 114822937
(3-ethylphenyl)-(5-methyloxolan-3-yl)methanol
CID 115823866
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine
CID 107291977
7-[hydroxy-(5-methyloxolan-3-yl)methyl]-2-methyl-4H-isoquinoline-1,3-dione
CID 114826743
(3,4-difluorophenyl)-piperidin-4-ylmethanol
CID 43146486
(3,4-difluorophenyl)-[1-(2-methylpropyl)azetidin-3-yl]methanol
CID 175315382

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol?
The IUPAC name of (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol (CID 114826691) is (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol.
What is the SMILES notation for (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol?
The canonical SMILES for (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol is CC1CC(C(O)c2ccc(F)c(F)c2)CO1.
What is the InChIKey of (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol?
The InChIKey is HPWKKYFLPKELER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-7-4-9(6-16-7)12(15)8-2-3-10(13)11(14)5-8/h2-3,5,7,9,12,15H,4,6H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol?
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol has a molecular weight of 228.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol is sourced from PubChem (CID 114826691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).