(E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol

C15H22O2 — CID 10752180

IUPAC(E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol
SMILESCO/C(=C(\C)c1ccccc1)C(O)C(C)(C)C
InChIInChI=1S/C15H22O2/c1-11(12-9-7-6-8-10-12)13(17-5)14(16)15(2,3)4/h6-10,14,16H,1-5H3/b13-11+
InChIKeyQCEMPSWJBWVGPK-ACCUITESSA-N
MW234.34 g/mol
LogP3.47
Rot. Bonds3

About (E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol

(E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol (PubChem CID 10752180) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol.

Molecular Properties

Compound Name(E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol
PubChem CID10752180
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol
SMILESCO/C(=C(\C)c1ccccc1)C(O)C(C)(C)C
InChIInChI=1S/C15H22O2/c1-11(12-9-7-6-8-10-12)13(17-5)14(16)15(2,3)4/h6-10,14,16H,1-5H3/b13-11+
InChIKeyQCEMPSWJBWVGPK-ACCUITESSA-N
XLogP3.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol?
The IUPAC name of (E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol (CID 10752180) is (E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol.
What is the SMILES notation for (E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol?
The canonical SMILES for (E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol is CO/C(=C(\C)c1ccccc1)C(O)C(C)(C)C.
What is the InChIKey of (E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol?
The InChIKey is QCEMPSWJBWVGPK-ACCUITESSA-N. The full InChI is InChI=1S/C15H22O2/c1-11(12-9-7-6-8-10-12)13(17-5)14(16)15(2,3)4/h6-10,14,16H,1-5H3/b13-11+.
What are the key properties of (E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol?
(E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol has a molecular weight of 234.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methoxy-2,2-dimethyl-5-phenylhex-4-en-3-ol is sourced from PubChem (CID 10752180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).