1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol

C11H13FO — CID 79333953

IUPAC1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol
SMILESCC1CC1(O)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FO/c1-8-6-11(8,13)7-9-2-4-10(12)5-3-9/h2-5,8,13H,6-7H2,1H3
InChIKeyMANDBQFRBVABKQ-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.14
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol

1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol (PubChem CID 79333953) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol
PubChem CID79333953
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol
SMILESCC1CC1(O)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FO/c1-8-6-11(8,13)7-9-2-4-10(12)5-3-9/h2-5,8,13H,6-7H2,1H3
InChIKeyMANDBQFRBVABKQ-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 82717852
3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 54595081
8-[(4-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-ol
CID 60799197
2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 81304989
1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81313908
3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol
CID 83818582
6-[(4-fluorophenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331044
(2S,4S,5S)-1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 11871665
7-[(4-fluorophenyl)methyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171959295
1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 60798898
[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol
CID 114535533
1-[(3-bromo-5-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-ol
CID 79702276

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol (CID 79333953) is 1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol is CC1CC1(O)Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol?
The InChIKey is MANDBQFRBVABKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-8-6-11(8,13)7-9-2-4-10(12)5-3-9/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol?
1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol has a molecular weight of 180.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol is sourced from PubChem (CID 79333953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).