1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol

C15H23FO — CID 114284823

IUPAC1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol
SMILESCC(C)CC(C)C(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FO/c1-11(2)9-12(3)15(4,17)10-13-5-7-14(16)8-6-13/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyXWCVZSLLBACBRC-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.80
Rot. Bonds5

About 1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol

1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol (PubChem CID 114284823) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol
PubChem CID114284823
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol
SMILESCC(C)CC(C)C(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FO/c1-11(2)9-12(3)15(4,17)10-13-5-7-14(16)8-6-13/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyXWCVZSLLBACBRC-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol
CID 107892822
1-fluoro-4-(2,2,3-trimethylbutyl)benzene
CID 59019242
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
CID 83151720
2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 65147130
1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol
CID 114832950
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 82919789
1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol
CID 60918368
3-[(4-fluorophenyl)methyl]pentan-3-ol
CID 60797567
1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol
CID 114833191
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol (CID 114284823) is 1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol is CC(C)CC(C)C(C)(O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol?
The InChIKey is XWCVZSLLBACBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-11(2)9-12(3)15(4,17)10-13-5-7-14(16)8-6-13/h5-8,11-12,17H,9-10H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol?
1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol has a molecular weight of 238.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol is sourced from PubChem (CID 114284823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).