(1R)-1-(4-tert-butylphenyl)ethanol

C12H18O — CID 6990572

IUPAC(1R)-1-(4-tert-butylphenyl)ethanol
SMILESC[C@@H](O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3/t9-/m1/s1
InChIKeyKEJQAXFZHFUFBI-SECBINFHSA-N
MW178.27 g/mol
LogP3.04
Rot. Bonds1

About (1R)-1-(4-tert-butylphenyl)ethanol

(1R)-1-(4-tert-butylphenyl)ethanol (PubChem CID 6990572) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (1R)-1-(4-tert-butylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-tert-butylphenyl)ethanol
PubChem CID6990572
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(1R)-1-(4-tert-butylphenyl)ethanol
SMILESC[C@@H](O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3/t9-/m1/s1
InChIKeyKEJQAXFZHFUFBI-SECBINFHSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814615
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol
CID 20846901
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
(4-tert-butylphenyl)-(dimethylamino)methanol
CID 116909511
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744
(R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol
CID 7146431
(1S)-2-bromo-1-(4-tert-butylphenyl)ethanol
CID 83000693
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934
(1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol
CID 78944666

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-tert-butylphenyl)ethanol?
The IUPAC name of (1R)-1-(4-tert-butylphenyl)ethanol (CID 6990572) is (1R)-1-(4-tert-butylphenyl)ethanol.
What is the SMILES notation for (1R)-1-(4-tert-butylphenyl)ethanol?
The canonical SMILES for (1R)-1-(4-tert-butylphenyl)ethanol is C[C@@H](O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (1R)-1-(4-tert-butylphenyl)ethanol?
The InChIKey is KEJQAXFZHFUFBI-SECBINFHSA-N. The full InChI is InChI=1S/C12H18O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9,13H,1-4H3/t9-/m1/s1.
What are the key properties of (1R)-1-(4-tert-butylphenyl)ethanol?
(1R)-1-(4-tert-butylphenyl)ethanol has a molecular weight of 178.27 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-tert-butylphenyl)ethanol is sourced from PubChem (CID 6990572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).