1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol

C14H21FO — CID 105374706

IUPAC1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol
SMILESCc1ccc(F)cc1CCC(O)CC(C)C
InChIInChI=1S/C14H21FO/c1-10(2)8-14(16)7-5-12-9-13(15)6-4-11(12)3/h4,6,9-10,14,16H,5,7-8H2,1-3H3
InChIKeyHBXYZXXABUVHEK-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.47
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol

1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol (PubChem CID 105374706) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol
PubChem CID105374706
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol
SMILESCc1ccc(F)cc1CCC(O)CC(C)C
InChIInChI=1S/C14H21FO/c1-10(2)8-14(16)7-5-12-9-13(15)6-4-11(12)3/h4,6,9-10,14,16H,5,7-8H2,1-3H3
InChIKeyHBXYZXXABUVHEK-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 105375543
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
CID 62606118
1-(5-fluoro-2-methylphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105377685
2-(3-chloro-4-methoxybutyl)-4-fluoro-1-methylbenzene
CID 105374733
1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
CID 82782849
3-(5-fluoro-2-methylphenyl)propanal
CID 64522520
6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine
CID 105375532
5-(2,5-difluorophenyl)pentane-2,3-diol
CID 83936139
1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol
CID 62606774
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 105372798
1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol
CID 55149163
N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine
CID 105372347

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol (CID 105374706) is 1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol is Cc1ccc(F)cc1CCC(O)CC(C)C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol?
The InChIKey is HBXYZXXABUVHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-10(2)8-14(16)7-5-12-9-13(15)6-4-11(12)3/h4,6,9-10,14,16H,5,7-8H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol?
1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol has a molecular weight of 224.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol is sourced from PubChem (CID 105374706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).