3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol

C15H23FO — CID 165499580

IUPAC3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol
SMILESCC(C)Cc1ccc(C(F)C(C)(C)CO)cc1
InChIInChI=1S/C15H23FO/c1-11(2)9-12-5-7-13(8-6-12)14(16)15(3,4)10-17/h5-8,11,14,17H,9-10H2,1-4H3
InChIKeySBRDIBZKNKWENR-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.91
Rot. Bonds5

About 3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol

3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol (PubChem CID 165499580) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol
PubChem CID165499580
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol
SMILESCC(C)Cc1ccc(C(F)C(C)(C)CO)cc1
InChIInChI=1S/C15H23FO/c1-11(2)9-12-5-7-13(8-6-12)14(16)15(3,4)10-17/h5-8,11,14,17H,9-10H2,1-4H3
InChIKeySBRDIBZKNKWENR-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trichloro-1-[4-(2-methylpropyl)phenyl]ethanol
CID 154190190
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 80604999
(2S)-2-methyl-3-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propane-1,2-diol
CID 167815224
2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol
CID 116945596
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
CID 63239146
N-[bis[4-(2-methylpropyl)phenyl]methyl]-2-methylpropan-2-amine;2,2-dimethylpropane;methane
CID 158178381
3,3-dimethyl-2-[4-[4-(2-methylpropyl)phenyl]phenyl]butanoic acid
CID 71065139
3-ethoxy-3-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 67873748
2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 61050325

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol?
The IUPAC name of 3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol (CID 165499580) is 3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol?
The canonical SMILES for 3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol is CC(C)Cc1ccc(C(F)C(C)(C)CO)cc1.
What is the InChIKey of 3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol?
The InChIKey is SBRDIBZKNKWENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-11(2)9-12-5-7-13(8-6-12)14(16)15(3,4)10-17/h5-8,11,14,17H,9-10H2,1-4H3.
What are the key properties of 3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol?
3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol has a molecular weight of 238.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-ol is sourced from PubChem (CID 165499580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).