3-[(4-fluorophenyl)methyl]pentan-3-ol

C12H17FO — CID 60797567

IUPAC3-[(4-fluorophenyl)methyl]pentan-3-ol
SMILESCCC(O)(CC)Cc1ccc(F)cc1
InChIInChI=1S/C12H17FO/c1-3-12(14,4-2)9-10-5-7-11(13)8-6-10/h5-8,14H,3-4,9H2,1-2H3
InChIKeyADEQIBFHWPEMGP-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.92
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]pentan-3-ol

3-[(4-fluorophenyl)methyl]pentan-3-ol (PubChem CID 60797567) has the molecular formula C12H17FO and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]pentan-3-ol
PubChem CID60797567
Molecular FormulaC12H17FO
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name3-[(4-fluorophenyl)methyl]pentan-3-ol
SMILESCCC(O)(CC)Cc1ccc(F)cc1
InChIInChI=1S/C12H17FO/c1-3-12(14,4-2)9-10-5-7-11(13)8-6-10/h5-8,14H,3-4,9H2,1-2H3
InChIKeyADEQIBFHWPEMGP-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-methylphenyl)methyl]pentan-3-ol
CID 60799364
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
azane;3-benzylpentan-3-ol
CID 173295411
1-(2-ethyl-2-propylpentyl)-4-fluorobenzene
CID 130370949
1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane
CID 143051679
2-cyclopropyl-1-(4-fluorophenyl)butan-2-ol
CID 64919767
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol
CID 66038175
2,2,4,4-tetrabromo-1,5-bis(4-fluorophenyl)pentan-3-one
CID 174940474
2-ethyl-2-[(4-fluorophenyl)methyl]butanenitrile
CID 82111083
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol
CID 114832950

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]pentan-3-ol?
The IUPAC name of 3-[(4-fluorophenyl)methyl]pentan-3-ol (CID 60797567) is 3-[(4-fluorophenyl)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]pentan-3-ol?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]pentan-3-ol is CCC(O)(CC)Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]pentan-3-ol?
The InChIKey is ADEQIBFHWPEMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-3-12(14,4-2)9-10-5-7-11(13)8-6-10/h5-8,14H,3-4,9H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]pentan-3-ol?
3-[(4-fluorophenyl)methyl]pentan-3-ol has a molecular weight of 196.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]pentan-3-ol is sourced from PubChem (CID 60797567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).