4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol

C16H24O — CID 170477366

IUPAC4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol
SMILESCC(C)c1cccc(C(C)C)c1C=CCCO
InChIInChI=1S/C16H24O/c1-12(2)14-9-7-10-15(13(3)4)16(14)8-5-6-11-17/h5,7-10,12-13,17H,6,11H2,1-4H3
InChIKeyCTBMYGXQHUILNL-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.33
Rot. Bonds5

About 4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol

4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol (PubChem CID 170477366) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol
PubChem CID170477366
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol
SMILESCC(C)c1cccc(C(C)C)c1C=CCCO
InChIInChI=1S/C16H24O/c1-12(2)14-9-7-10-15(13(3)4)16(14)8-5-6-11-17/h5,7-10,12-13,17H,6,11H2,1-4H3
InChIKeyCTBMYGXQHUILNL-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol?
The IUPAC name of 4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol (CID 170477366) is 4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol.
What is the SMILES notation for 4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol?
The canonical SMILES for 4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol is CC(C)c1cccc(C(C)C)c1C=CCCO.
What is the InChIKey of 4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol?
The InChIKey is CTBMYGXQHUILNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-12(2)14-9-7-10-15(13(3)4)16(14)8-5-6-11-17/h5,7-10,12-13,17H,6,11H2,1-4H3.
What are the key properties of 4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol?
4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol is sourced from PubChem (CID 170477366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).