1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol

C15H23FO — CID 106879533

IUPAC1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol
SMILESCCCCCCC(O)c1c(C)cc(F)cc1C
InChIInChI=1S/C15H23FO/c1-4-5-6-7-8-14(17)15-11(2)9-13(16)10-12(15)3/h9-10,14,17H,4-8H2,1-3H3
InChIKeyJYKNTAQLPZWPAP-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.45
Rot. Bonds6

About 1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol

1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol (PubChem CID 106879533) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol
PubChem CID106879533
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol
SMILESCCCCCCC(O)c1c(C)cc(F)cc1C
InChIInChI=1S/C15H23FO/c1-4-5-6-7-8-14(17)15-11(2)9-13(16)10-12(15)3/h9-10,14,17H,4-8H2,1-3H3
InChIKeyJYKNTAQLPZWPAP-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1-(3,5-difluorophenyl)hexan-1-ol
CID 62608438
1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol
CID 115783388
1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol
CID 65426941
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine
CID 106878041
1-(2-fluoro-3-methylphenyl)undecan-1-ol
CID 115789168
1-(2-fluoro-5-methylphenyl)undecan-1-ol
CID 115789089
2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106879490
(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106880220
1-(2-fluoro-4,6-dimethylphenyl)heptylhydrazine
CID 106884598
1-(3-bromo-2,6-difluorophenyl)decan-1-ol
CID 106945067

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol?
The IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol (CID 106879533) is 1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol.
What is the SMILES notation for 1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol?
The canonical SMILES for 1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol is CCCCCCC(O)c1c(C)cc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol?
The InChIKey is JYKNTAQLPZWPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-4-5-6-7-8-14(17)15-11(2)9-13(16)10-12(15)3/h9-10,14,17H,4-8H2,1-3H3.
What are the key properties of 1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol?
1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol has a molecular weight of 238.35 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol is sourced from PubChem (CID 106879533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).