(E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol

C15H22O — CID 70593389

IUPAC(E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol
SMILESCCC(C)(C)c1ccc(/C=C(\C)CO)cc1
InChIInChI=1S/C15H22O/c1-5-15(3,4)14-8-6-13(7-9-14)10-12(2)11-16/h6-10,16H,5,11H2,1-4H3/b12-10+
InChIKeyRBNZAHVKENEXLA-ZRDIBKRKSA-N
MW218.34 g/mol
LogP3.77
Rot. Bonds4

About (E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol

(E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol (PubChem CID 70593389) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol
PubChem CID70593389
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol
SMILESCCC(C)(C)c1ccc(/C=C(\C)CO)cc1
InChIInChI=1S/C15H22O/c1-5-15(3,4)14-8-6-13(7-9-14)10-12(2)11-16/h6-10,16H,5,11H2,1-4H3/b12-10+
InChIKeyRBNZAHVKENEXLA-ZRDIBKRKSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol (CID 70593389) is (E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol is CCC(C)(C)c1ccc(/C=C(\C)CO)cc1.
What is the InChIKey of (E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol?
The InChIKey is RBNZAHVKENEXLA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H22O/c1-5-15(3,4)14-8-6-13(7-9-14)10-12(2)11-16/h6-10,16H,5,11H2,1-4H3/b12-10+.
What are the key properties of (E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol?
(E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 70593389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).