1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol

C15H23FO — CID 114200460

IUPAC1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol
SMILESCc1cc(C(O)CC(C)CC(C)C)ccc1F
InChIInChI=1S/C15H23FO/c1-10(2)7-11(3)8-15(17)13-5-6-14(16)12(4)9-13/h5-6,9-11,15,17H,7-8H2,1-4H3
InChIKeyQSQCULVPGJXMER-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.24
Rot. Bonds5

About 1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol

1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol (PubChem CID 114200460) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol
PubChem CID114200460
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol
SMILESCc1cc(C(O)CC(C)CC(C)C)ccc1F
InChIInChI=1S/C15H23FO/c1-10(2)7-11(3)8-15(17)13-5-6-14(16)12(4)9-13/h5-6,9-11,15,17H,7-8H2,1-4H3
InChIKeyQSQCULVPGJXMER-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol
CID 55095039
2-tert-butylsulfanyl-1-(4-fluoro-3-methylphenyl)ethanol
CID 65132980
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol
CID 114200459
4-(1-bromo-4-methylpentan-2-yl)-1-fluoro-2-methylbenzene
CID 82093449
2-(4-fluoro-3-methylphenyl)-4-methylpentanenitrile
CID 82077124
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63410710
2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 65185897
N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide
CID 82113315
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82315033

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol (CID 114200460) is 1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol is Cc1cc(C(O)CC(C)CC(C)C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol?
The InChIKey is QSQCULVPGJXMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-10(2)7-11(3)8-15(17)13-5-6-14(16)12(4)9-13/h5-6,9-11,15,17H,7-8H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol?
1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol has a molecular weight of 238.35 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol is sourced from PubChem (CID 114200460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).