3-ethyl-2-phenylhex-3-en-2-ol

C14H20O — CID 15864800

IUPAC3-ethyl-2-phenylhex-3-en-2-ol
SMILESCCC=C(CC)C(C)(O)c1ccccc1
InChIInChI=1S/C14H20O/c1-4-9-12(5-2)14(3,15)13-10-7-6-8-11-13/h6-11,15H,4-5H2,1-3H3
InChIKeyWYHYBUCPEHCGTC-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.64
Rot. Bonds4

About 3-ethyl-2-phenylhex-3-en-2-ol

3-ethyl-2-phenylhex-3-en-2-ol (PubChem CID 15864800) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-ethyl-2-phenylhex-3-en-2-ol.

Molecular Properties

Compound Name3-ethyl-2-phenylhex-3-en-2-ol
PubChem CID15864800
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-ethyl-2-phenylhex-3-en-2-ol
SMILESCCC=C(CC)C(C)(O)c1ccccc1
InChIInChI=1S/C14H20O/c1-4-9-12(5-2)14(3,15)13-10-7-6-8-11-13/h6-11,15H,4-5H2,1-3H3
InChIKeyWYHYBUCPEHCGTC-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.64
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 3-ethyl-2-phenylhex-3-en-2-ol?
The IUPAC name of 3-ethyl-2-phenylhex-3-en-2-ol (CID 15864800) is 3-ethyl-2-phenylhex-3-en-2-ol.
What is the SMILES notation for 3-ethyl-2-phenylhex-3-en-2-ol?
The canonical SMILES for 3-ethyl-2-phenylhex-3-en-2-ol is CCC=C(CC)C(C)(O)c1ccccc1.
What is the InChIKey of 3-ethyl-2-phenylhex-3-en-2-ol?
The InChIKey is WYHYBUCPEHCGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-4-9-12(5-2)14(3,15)13-10-7-6-8-11-13/h6-11,15H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-2-phenylhex-3-en-2-ol?
3-ethyl-2-phenylhex-3-en-2-ol has a molecular weight of 204.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-phenylhex-3-en-2-ol is sourced from PubChem (CID 15864800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).