(R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol

C17H19FO — CID 7146431

IUPAC(R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol
SMILESCC(C)(C)c1ccc([C@@H](O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FO/c1-17(2,3)14-8-4-12(5-9-14)16(19)13-6-10-15(18)11-7-13/h4-11,16,19H,1-3H3/t16-/m1/s1
InChIKeyUMNYQNAERUPNHP-MRXNPFEDSA-N
MW258.34 g/mol
LogP4.20
Rot. Bonds2

About (R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol

(R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol (PubChem CID 7146431) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is (R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol
PubChem CID7146431
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name(R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol
SMILESCC(C)(C)c1ccc([C@@H](O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FO/c1-17(2,3)14-8-4-12(5-9-14)16(19)13-6-10-15(18)11-7-13/h4-11,16,19H,1-3H3/t16-/m1/s1
InChIKeyUMNYQNAERUPNHP-MRXNPFEDSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089369
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
(4-tert-butylphenyl)-bis(4-fluorophenyl)sulfanium
CID 87944098
(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
2-fluoro-1-(4-fluorophenyl)-2-methylpropan-1-ol
CID 130561742
(4-tert-butylphenyl)-(3-methylphenyl)methanol
CID 2757292
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
(S)-(4-ethylsulfanylphenyl)-(4-fluorophenyl)methanol
CID 7154353
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 63895221
2-(4-fluorophenyl)propan-2-ol
CID 637733
1-tert-butyl-4-[2-(4-tert-butylphenyl)-1,2-difluoroethyl]benzene
CID 58671895

Frequently Asked Questions

What is the IUPAC name of (R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol?
The IUPAC name of (R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol (CID 7146431) is (R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol?
The canonical SMILES for (R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol is CC(C)(C)c1ccc([C@@H](O)c2ccc(F)cc2)cc1.
What is the InChIKey of (R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol?
The InChIKey is UMNYQNAERUPNHP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19FO/c1-17(2,3)14-8-4-12(5-9-14)16(19)13-6-10-15(18)11-7-13/h4-11,16,19H,1-3H3/t16-/m1/s1.
What are the key properties of (R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol?
(R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol has a molecular weight of 258.34 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 7146431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).