2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol

C14H21FO — CID 67800857

IUPAC2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol
SMILESCCCCC(C)(CO)c1ccc(F)cc1C
InChIInChI=1S/C14H21FO/c1-4-5-8-14(3,10-16)13-7-6-12(15)9-11(13)2/h6-7,9,16H,4-5,8,10H2,1-3H3
InChIKeyBXKQHLTWVVEKDI-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.57
Rot. Bonds5

About 2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol

2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol (PubChem CID 67800857) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol
PubChem CID67800857
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol
SMILESCCCCC(C)(CO)c1ccc(F)cc1C
InChIInChI=1S/C14H21FO/c1-4-5-8-14(3,10-16)13-7-6-12(15)9-11(13)2/h6-7,9,16H,4-5,8,10H2,1-3H3
InChIKeyBXKQHLTWVVEKDI-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
2-(4-fluoro-2-methylphenyl)propan-2-amine
CID 62790601
1-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)ethanol
CID 55116263
2-fluoro-2-(4-fluoro-2-methylphenyl)propan-1-amine
CID 112565193
1-(4-fluoro-2-methylphenyl)-1-phenylbutan-1-amine
CID 62789738
3-(4-fluoro-2-methylphenyl)-2-methylpentan-3-ol
CID 62788142
2-(4-fluoro-2-methylphenyl)-2-methylbutanenitrile
CID 130133632
1-(4-fluoro-2-methylphenyl)-3-methylnon-1-yn-3-ol
CID 146003484
1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol
CID 66036805
1-methyl-4-(3-methylheptan-3-yl)-2-(trifluoromethyl)benzene
CID 146270322
1-fluoro-4-methyl-2-(3-methyloctan-3-yl)benzene
CID 134457118
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol (CID 67800857) is 2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol is CCCCC(C)(CO)c1ccc(F)cc1C.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol?
The InChIKey is BXKQHLTWVVEKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-4-5-8-14(3,10-16)13-7-6-12(15)9-11(13)2/h6-7,9,16H,4-5,8,10H2,1-3H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol?
2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol has a molecular weight of 224.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-2-methylhexan-1-ol is sourced from PubChem (CID 67800857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).