2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol

C15H24O — CID 61082952

IUPAC2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol
SMILESCCC(CC)C(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24O/c1-5-12(6-2)15(16)14-9-7-13(8-10-14)11(3)4/h7-12,15-16H,5-6H2,1-4H3
InChIKeyXVAKJWFQOAFBQQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.28
Rot. Bonds5

About 2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol

2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol (PubChem CID 61082952) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol
PubChem CID61082952
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol
SMILESCCC(CC)C(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24O/c1-5-12(6-2)15(16)14-9-7-13(8-10-14)11(3)4/h7-12,15-16H,5-6H2,1-4H3
InChIKeyXVAKJWFQOAFBQQ-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol?
The IUPAC name of 2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol (CID 61082952) is 2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol.
What is the SMILES notation for 2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol?
The canonical SMILES for 2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol is CCC(CC)C(O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol?
The InChIKey is XVAKJWFQOAFBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-12(6-2)15(16)14-9-7-13(8-10-14)11(3)4/h7-12,15-16H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol?
2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol has a molecular weight of 220.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol is sourced from PubChem (CID 61082952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).