4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol

C13H18O2 — CID 143589079

IUPAC4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESC/C=C(\C)c1cc(C(C)C)c(O)cc1O
InChIInChI=1S/C13H18O2/c1-5-9(4)11-6-10(8(2)3)12(14)7-13(11)15/h5-8,14-15H,1-4H3/b9-5+
InChIKeyITNYAZFAKKZQOR-WEVVVXLNSA-N
MW206.28 g/mol
LogP3.64
Rot. Bonds2

About 4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol

4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol (PubChem CID 143589079) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol
PubChem CID143589079
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol
SMILESC/C=C(\C)c1cc(C(C)C)c(O)cc1O
InChIInChI=1S/C13H18O2/c1-5-9(4)11-6-10(8(2)3)12(14)7-13(11)15/h5-8,14-15H,1-4H3/b9-5+
InChIKeyITNYAZFAKKZQOR-WEVVVXLNSA-N
XLogP3.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol (CID 143589079) is 4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol is C/C=C(\C)c1cc(C(C)C)c(O)cc1O.
What is the InChIKey of 4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol?
The InChIKey is ITNYAZFAKKZQOR-WEVVVXLNSA-N. The full InChI is InChI=1S/C13H18O2/c1-5-9(4)11-6-10(8(2)3)12(14)7-13(11)15/h5-8,14-15H,1-4H3/b9-5+.
What are the key properties of 4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol?
4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol has a molecular weight of 206.28 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 143589079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).