ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol

C14H22O — CID 171837963

IUPACethane;5-propan-2-yl-2-prop-1-en-2-ylphenol
SMILESC=C(C)c1ccc(C(C)C)cc1O.CC
InChIInChI=1S/C12H16O.C2H6/c1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-2/h5-8,13H,3H2,1-2,4H3;1-2H3
InChIKeyLCJHZVAOJOQLBI-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.57
Rot. Bonds2

About ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol

ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol (PubChem CID 171837963) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol.

Molecular Properties

Compound Nameethane;5-propan-2-yl-2-prop-1-en-2-ylphenol
PubChem CID171837963
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Nameethane;5-propan-2-yl-2-prop-1-en-2-ylphenol
SMILESC=C(C)c1ccc(C(C)C)cc1O.CC
InChIInChI=1S/C12H16O.C2H6/c1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-2/h5-8,13H,3H2,1-2,4H3;1-2H3
InChIKeyLCJHZVAOJOQLBI-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-di(propan-2-yl)-4-prop-1-en-2-ylphenol
CID 23336961
2-chloro-5-propan-2-ylphenol
CID 59596487
2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
CID 178165672
2,4-di(propan-2-yl)phenol
CID 18048
5-propan-2-yl-2-(1-sulfanylethyl)phenol
CID 135213072
2-ethyl-5-propan-2-ylphenol
CID 45096246
1-propan-2-yl-2-prop-1-en-2-ylbenzene;1-propan-2-yl-3-prop-1-en-2-ylbenzene
CID 173398854
actinium;2-prop-1-en-2-ylphenol
CID 20669246
N-cyclopentyl-2-hydroxy-4-propan-2-ylbenzamide
CID 47268168
2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117284776

Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol?
The IUPAC name of ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol (CID 171837963) is ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol.
What is the SMILES notation for ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol?
The canonical SMILES for ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol is C=C(C)c1ccc(C(C)C)cc1O.CC.
What is the InChIKey of ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol?
The InChIKey is LCJHZVAOJOQLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C2H6/c1-8(2)10-5-6-11(9(3)4)12(13)7-10;1-2/h5-8,13H,3H2,1-2,4H3;1-2H3.
What are the key properties of ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol?
ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol has a molecular weight of 206.33 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-2-prop-1-en-2-ylphenol is sourced from PubChem (CID 171837963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).