[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol

C15H19FO2 — CID 104510415

IUPAC[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2)CCOC1C1CC1
InChIInChI=1S/C15H19FO2/c16-13-5-1-11(2-6-13)9-15(10-17)7-8-18-14(15)12-3-4-12/h1-2,5-6,12,14,17H,3-4,7-10H2
InChIKeyTWRCCOUPOMJCJS-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.55
Rot. Bonds4

About [2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol

[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol (PubChem CID 104510415) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is [2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol
PubChem CID104510415
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2)CCOC1C1CC1
InChIInChI=1S/C15H19FO2/c16-13-5-1-11(2-6-13)9-15(10-17)7-8-18-14(15)12-3-4-12/h1-2,5-6,12,14,17H,3-4,7-10H2
InChIKeyTWRCCOUPOMJCJS-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol
CID 114535533
[3-[(2-bromo-4-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol
CID 104510390
[3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol
CID 104510431
[2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509406
[2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509409
N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104509960
3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717852
3-(chloromethyl)-2-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]oxolane
CID 104510563
N-[[2-cyclopropyl-3-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509713
2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid
CID 104509235
N-[[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534661
N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104509991

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol?
The IUPAC name of [2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol (CID 104510415) is [2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol?
The canonical SMILES for [2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol is OCC1(Cc2ccc(F)cc2)CCOC1C1CC1.
What is the InChIKey of [2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol?
The InChIKey is TWRCCOUPOMJCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c16-13-5-1-11(2-6-13)9-15(10-17)7-8-18-14(15)12-3-4-12/h1-2,5-6,12,14,17H,3-4,7-10H2.
What are the key properties of [2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol?
[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol has a molecular weight of 250.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 104510415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).