5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol

C18H20O4 — CID 163163224

IUPAC5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol
SMILESCC=C(C)c1cc(O)c(C)c(O)c1Oc1cc(C)cc(O)c1
InChIInChI=1S/C18H20O4/c1-5-11(3)15-9-16(20)12(4)17(21)18(15)22-14-7-10(2)6-13(19)8-14/h5-9,19-21H,1-4H3
InChIKeyRSKUSVAJGZVWLB-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.64
Rot. Bonds3

About 5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol

5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol (PubChem CID 163163224) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol
PubChem CID163163224
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol
SMILESCC=C(C)c1cc(O)c(C)c(O)c1Oc1cc(C)cc(O)c1
InChIInChI=1S/C18H20O4/c1-5-11(3)15-9-16(20)12(4)17(21)18(15)22-14-7-10(2)6-13(19)8-14/h5-9,19-21H,1-4H3
InChIKeyRSKUSVAJGZVWLB-UHFFFAOYSA-N
XLogP4.64
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol?
The IUPAC name of 5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol (CID 163163224) is 5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol.
What is the SMILES notation for 5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol?
The canonical SMILES for 5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol is CC=C(C)c1cc(O)c(C)c(O)c1Oc1cc(C)cc(O)c1.
What is the InChIKey of 5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol?
The InChIKey is RSKUSVAJGZVWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-5-11(3)15-9-16(20)12(4)17(21)18(15)22-14-7-10(2)6-13(19)8-14/h5-9,19-21H,1-4H3.
What are the key properties of 5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol?
5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol has a molecular weight of 300.35 g/mol, XLogP of 4.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-en-2-yl-4-(3-hydroxy-5-methylphenoxy)-2-methylbenzene-1,3-diol is sourced from PubChem (CID 163163224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).