3-(3-fluorophenyl)-5-methylheptan-3-ol

C14H21FO — CID 114872328

IUPAC3-(3-fluorophenyl)-5-methylheptan-3-ol
SMILESCCC(C)CC(O)(CC)c1cccc(F)c1
InChIInChI=1S/C14H21FO/c1-4-11(3)10-14(16,5-2)12-7-6-8-13(15)9-12/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyZZAVRFSULHBBGW-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.86
Rot. Bonds5

About 3-(3-fluorophenyl)-5-methylheptan-3-ol

3-(3-fluorophenyl)-5-methylheptan-3-ol (PubChem CID 114872328) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-methylheptan-3-ol.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-methylheptan-3-ol
PubChem CID114872328
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name3-(3-fluorophenyl)-5-methylheptan-3-ol
SMILESCCC(C)CC(O)(CC)c1cccc(F)c1
InChIInChI=1S/C14H21FO/c1-4-11(3)10-14(16,5-2)12-7-6-8-13(15)9-12/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyZZAVRFSULHBBGW-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 59612023
CID 59612023
1,2-bis(3-fluorophenyl)butan-2-ol
CID 114872358
2-(3-fluorophenyl)-4-methylheptan-2-ol
CID 65145180
3-(3-fluorophenyl)oct-6-yn-3-ol
CID 114872593
3-[3-(3-hydroxypentan-3-yl)phenyl]pentan-3-ol
CID 44630004
3-(3-bromophenyl)-5-ethylheptan-3-ol
CID 114079223
(2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol
CID 59958915
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872344
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 114872417
3-(3-fluorophenyl)pent-1-en-3-ol
CID 114872435
1-(5-ethyl-2-pyridinyl)-2-(3-fluorophenyl)butan-2-ol
CID 114872587

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-methylheptan-3-ol?
The IUPAC name of 3-(3-fluorophenyl)-5-methylheptan-3-ol (CID 114872328) is 3-(3-fluorophenyl)-5-methylheptan-3-ol.
What is the SMILES notation for 3-(3-fluorophenyl)-5-methylheptan-3-ol?
The canonical SMILES for 3-(3-fluorophenyl)-5-methylheptan-3-ol is CCC(C)CC(O)(CC)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-methylheptan-3-ol?
The InChIKey is ZZAVRFSULHBBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-4-11(3)10-14(16,5-2)12-7-6-8-13(15)9-12/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of 3-(3-fluorophenyl)-5-methylheptan-3-ol?
3-(3-fluorophenyl)-5-methylheptan-3-ol has a molecular weight of 224.32 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-methylheptan-3-ol is sourced from PubChem (CID 114872328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).