(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol

C14H22O — CID 125467174

IUPAC(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol
SMILESCC(C)c1ccc([C@@H](C)O)cc1C(C)C
InChIInChI=1S/C14H22O/c1-9(2)13-7-6-12(11(5)15)8-14(13)10(3)4/h6-11,15H,1-5H3/t11-/m1/s1
InChIKeyBOHFWLYGRDTFGN-LLVKDONJSA-N
MW206.33 g/mol
LogP3.99
Rot. Bonds3

About (1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol

(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol (PubChem CID 125467174) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol
PubChem CID125467174
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol
SMILESCC(C)c1ccc([C@@H](C)O)cc1C(C)C
InChIInChI=1S/C14H22O/c1-9(2)13-7-6-12(11(5)15)8-14(13)10(3)4/h6-11,15H,1-5H3/t11-/m1/s1
InChIKeyBOHFWLYGRDTFGN-LLVKDONJSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-hydroxyethyl)-2-propan-2-ylphenol
CID 82265836
(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol
CID 171600588
1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol
CID 113435253
(1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 25324257
(1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol
CID 125466999
2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid
CID 117345122
[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol
CID 14096565
1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol
CID 63427128
2,4-di(propan-2-yl)phenol
CID 18048
(2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol
CID 63427004
[2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol
CID 61087925
1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol
CID 114753381

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol (CID 125467174) is (1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol is CC(C)c1ccc([C@@H](C)O)cc1C(C)C.
What is the InChIKey of (1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol?
The InChIKey is BOHFWLYGRDTFGN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22O/c1-9(2)13-7-6-12(11(5)15)8-14(13)10(3)4/h6-11,15H,1-5H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol?
(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol has a molecular weight of 206.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol is sourced from PubChem (CID 125467174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).