(E)-3-ethyl-2-phenylhex-3-en-2-ol

C14H20O — CID 100935956

IUPAC(E)-3-ethyl-2-phenylhex-3-en-2-ol
SMILESCC/C=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/b12-9+
InChIKeyWYHYBUCPEHCGTC-FMIVXFBMSA-N
MW204.31 g/mol
LogP3.64
Rot. Bonds4

About (E)-3-ethyl-2-phenylhex-3-en-2-ol

(E)-3-ethyl-2-phenylhex-3-en-2-ol (PubChem CID 100935956) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (E)-3-ethyl-2-phenylhex-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-ethyl-2-phenylhex-3-en-2-ol
PubChem CID100935956
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(E)-3-ethyl-2-phenylhex-3-en-2-ol
SMILESCC/C=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/b12-9+
InChIKeyWYHYBUCPEHCGTC-FMIVXFBMSA-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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Related Compounds

3-ethyl-2-phenylhex-3-en-2-ol
CID 15864800
(2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol
CID 176836101
2-hydroxy-2-phenylhexan-3-one
CID 3696245
5-hydroxy-4,5-dimethyl-4-phenylheptan-3-one
CID 145233925
5-ethyl-5-hydroxy-4-methyl-4-phenylheptan-3-one
CID 145233914
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
2,2-diphenylpentan-3-one
CID 70793023
1,1-dihydroxy-1-phenylbutan-2-one
CID 162740160
1-(2,2,2-triphenylethoxy)ethane-1,1-diol
CID 54503444
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-2-phenylhex-3-en-2-ol?
The IUPAC name of (E)-3-ethyl-2-phenylhex-3-en-2-ol (CID 100935956) is (E)-3-ethyl-2-phenylhex-3-en-2-ol.
What is the SMILES notation for (E)-3-ethyl-2-phenylhex-3-en-2-ol?
The canonical SMILES for (E)-3-ethyl-2-phenylhex-3-en-2-ol is CC/C=C(\CC)C(C)(O)c1ccccc1.
What is the InChIKey of (E)-3-ethyl-2-phenylhex-3-en-2-ol?
The InChIKey is WYHYBUCPEHCGTC-FMIVXFBMSA-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/b12-9+.
What are the key properties of (E)-3-ethyl-2-phenylhex-3-en-2-ol?
(E)-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 (E)-3-ethyl-2-phenylhex-3-en-2-ol is sourced from PubChem (CID 100935956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).