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

C15H23FO — CID 63834393

IUPAC1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
SMILESCC(CC(O)Cc1ccccc1F)C(C)(C)C
InChIInChI=1S/C15H23FO/c1-11(15(2,3)4)9-13(17)10-12-7-5-6-8-14(12)16/h5-8,11,13,17H,9-10H2,1-4H3
InChIKeyBUGAUCIVMJVGPP-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.80
Rot. Bonds4

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

1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol (PubChem CID 63834393) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
PubChem CID63834393
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
SMILESCC(CC(O)Cc1ccccc1F)C(C)(C)C
InChIInChI=1S/C15H23FO/c1-11(15(2,3)4)9-13(17)10-12-7-5-6-8-14(12)16/h5-8,11,13,17H,9-10H2,1-4H3
InChIKeyBUGAUCIVMJVGPP-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-(2-chloro-3-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 115831221
1-(5-chloro-2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 103053392
1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726
1-(2-fluorophenyl)-3-(methylamino)propan-2-ol
CID 64989565
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
1-(2,3-difluorophenyl)-4-methylpentan-2-ol
CID 62606503
2-[(2-fluorophenyl)methyl]-3-methylbutan-1-ol
CID 66059618
1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 54978146
1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol
CID 65130556
2-[(2-fluorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83137365
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658
1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
CID 102612767

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol (CID 63834393) is 1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol is CC(CC(O)Cc1ccccc1F)C(C)(C)C.
What is the InChIKey of 1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol?
The InChIKey is BUGAUCIVMJVGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-11(15(2,3)4)9-13(17)10-12-7-5-6-8-14(12)16/h5-8,11,13,17H,9-10H2,1-4H3.
What are the key properties of 1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol?
1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol has a molecular weight of 238.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol is sourced from PubChem (CID 63834393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).