2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol

C15H23FO — CID 66059277

IUPAC2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)CCC(CO)Cc1cccc(F)c1
InChIInChI=1S/C15H23FO/c1-15(2,3)8-7-13(11-17)9-12-5-4-6-14(16)10-12/h4-6,10,13,17H,7-9,11H2,1-3H3
InChIKeyLXNJJWQTKNTTCL-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.80
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol

2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol (PubChem CID 66059277) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol
PubChem CID66059277
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol
SMILESCC(C)(C)CCC(CO)Cc1cccc(F)c1
InChIInChI=1S/C15H23FO/c1-15(2,3)8-7-13(11-17)9-12-5-4-6-14(16)10-12/h4-6,10,13,17H,7-9,11H2,1-3H3
InChIKeyLXNJJWQTKNTTCL-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66060363
1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine
CID 62602141
2-[(3-fluorophenyl)methyl]-4-propylsulfonylbutan-1-ol
CID 106734373
2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 114349827
5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol
CID 66060531
2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 66058858
5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol
CID 66059935
2-[(3-fluorophenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66059493
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
1-(2-bromo-3,3-dimethylbutyl)-3-fluorobenzene
CID 63543994
1-[2-(chloromethyl)pentyl]-3-fluorobenzene
CID 66034090
N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 62516409

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol (CID 66059277) is 2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol is CC(C)(C)CCC(CO)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol?
The InChIKey is LXNJJWQTKNTTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-15(2,3)8-7-13(11-17)9-12-5-4-6-14(16)10-12/h4-6,10,13,17H,7-9,11H2,1-3H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol?
2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol has a molecular weight of 238.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-5,5-dimethylhexan-1-ol is sourced from PubChem (CID 66059277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).