1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol

C15H22O — CID 162998634

IUPAC1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol
SMILESC=C[C@@H](C)c1ccc(C)cc1CC(C)(C)O
InChIInChI=1S/C15H22O/c1-6-12(3)14-8-7-11(2)9-13(14)10-15(4,5)16/h6-9,12,16H,1,10H2,2-5H3/t12-/m1/s1
InChIKeyGQUGDHVDNITJEZ-GFCCVEGCSA-N
MW218.34 g/mol
LogP3.60
Rot. Bonds4

About 1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol

1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol (PubChem CID 162998634) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol
PubChem CID162998634
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol
SMILESC=C[C@@H](C)c1ccc(C)cc1CC(C)(C)O
InChIInChI=1S/C15H22O/c1-6-12(3)14-8-7-11(2)9-13(14)10-15(4,5)16/h6-9,12,16H,1,10H2,2-5H3/t12-/m1/s1
InChIKeyGQUGDHVDNITJEZ-GFCCVEGCSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol (CID 162998634) is 1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol is C=C[C@@H](C)c1ccc(C)cc1CC(C)(C)O.
What is the InChIKey of 1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol?
The InChIKey is GQUGDHVDNITJEZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22O/c1-6-12(3)14-8-7-11(2)9-13(14)10-15(4,5)16/h6-9,12,16H,1,10H2,2-5H3/t12-/m1/s1.
What are the key properties of 1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol?
1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-but-3-en-2-yl]-5-methylphenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 162998634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).