1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol

C15H23FO2 — CID 55095039

IUPAC1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol
SMILESCc1cc(C(O)CCOCCC(C)C)ccc1F
InChIInChI=1S/C15H23FO2/c1-11(2)6-8-18-9-7-15(17)13-4-5-14(16)12(3)10-13/h4-5,10-11,15,17H,6-9H2,1-3H3
InChIKeyVBOFVDIHCVKUIU-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.62
Rot. Bonds7

About 1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol

1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol (PubChem CID 55095039) has the molecular formula C15H23FO2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol
PubChem CID55095039
Molecular FormulaC15H23FO2
Molecular Weight254.34 g/mol
Exact Mass254.17
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol
SMILESCc1cc(C(O)CCOCCC(C)C)ccc1F
InChIInChI=1S/C15H23FO2/c1-11(2)6-8-18-9-7-15(17)13-4-5-14(16)12(3)10-13/h4-5,10-11,15,17H,6-9H2,1-3H3
InChIKeyVBOFVDIHCVKUIU-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
1-(4-fluoro-3-methylphenyl)-3-phenoxypropan-1-ol
CID 62608597
3-(3-methylbutoxy)-1-(3-methylphenyl)propan-1-ol
CID 115001890
1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol
CID 114200460
methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate
CID 62121072
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
(1R,2S)-1-amino-1-(4-fluoro-3-methylphenyl)-5-methylhexan-2-ol
CID 171262219
1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 61100498
(1R,2S)-1-amino-1-(4-fluoro-3-methylphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171262220
1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103210363
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63410710

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol (CID 55095039) is 1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol is Cc1cc(C(O)CCOCCC(C)C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol?
The InChIKey is VBOFVDIHCVKUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO2/c1-11(2)6-8-18-9-7-15(17)13-4-5-14(16)12(3)10-13/h4-5,10-11,15,17H,6-9H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol?
1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol has a molecular weight of 254.34 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol is sourced from PubChem (CID 55095039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).