1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol

C18H21FO — CID 116542275

IUPAC1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1cccc(C(C)(O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H21FO/c1-13(2)11-14-5-4-6-16(12-14)18(3,20)15-7-9-17(19)10-8-15/h4-10,12-13,20H,11H2,1-3H3
InChIKeyIHVBADCYBJBTIC-UHFFFAOYSA-N
MW272.36 g/mol
LogP4.28
Rot. Bonds4

About 1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol

1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol (PubChem CID 116542275) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
PubChem CID116542275
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1cccc(C(C)(O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H21FO/c1-13(2)11-14-5-4-6-16(12-14)18(3,20)15-7-9-17(19)10-8-15/h4-10,12-13,20H,11H2,1-3H3
InChIKeyIHVBADCYBJBTIC-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-1-(3-propylphenyl)ethanol
CID 116542276
1-(3,5-dimethylphenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542789
2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302
1-amino-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542792
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-ol
CID 116542343
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol
CID 105425775
2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol
CID 116546306
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]acetic acid
CID 116545513
3-[1-(4-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115481471
1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542889
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol (CID 116542275) is 1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol is CC(C)Cc1cccc(C(C)(O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol?
The InChIKey is IHVBADCYBJBTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-13(2)11-14-5-4-6-16(12-14)18(3,20)15-7-9-17(19)10-8-15/h4-10,12-13,20H,11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol?
1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol has a molecular weight of 272.36 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 116542275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).