(1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol

C15H20O — CID 100923978

IUPAC(1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol
SMILESC=C[C@](C)(CC)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C15H20O/c1-4-15(3,5-2)14(16)12-11-13-9-7-6-8-10-13/h4,6-12,14,16H,1,5H2,2-3H3/b12-11+/t14-,15+/m0/s1
InChIKeyQPWZIIMYQDEQSZ-AMXOMPAFSA-N
MW216.32 g/mol
LogP3.66
Rot. Bonds5

About (1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol

(1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol (PubChem CID 100923978) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol
PubChem CID100923978
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol
SMILESC=C[C@](C)(CC)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C15H20O/c1-4-15(3,5-2)14(16)12-11-13-9-7-6-8-10-13/h4,6-12,14,16H,1,5H2,2-3H3/b12-11+/t14-,15+/m0/s1
InChIKeyQPWZIIMYQDEQSZ-AMXOMPAFSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
(1E,6E)-5-hydroxy-4,4-dimethyl-1,7-diphenylhepta-1,6-dien-3-one
CID 153310935
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 14894503
3-phenylprop-2-ene-1,1-diol
CID 54432533
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
(E)-4,4-dichloro-3-hydroxy-1-phenyldec-1-en-5-one
CID 10380966
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
(E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol
CID 134955286

Frequently Asked Questions

What is the IUPAC name of (1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol?
The IUPAC name of (1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol (CID 100923978) is (1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol.
What is the SMILES notation for (1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol?
The canonical SMILES for (1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol is C=C[C@](C)(CC)[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of (1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol?
The InChIKey is QPWZIIMYQDEQSZ-AMXOMPAFSA-N. The full InChI is InChI=1S/C15H20O/c1-4-15(3,5-2)14(16)12-11-13-9-7-6-8-10-13/h4,6-12,14,16H,1,5H2,2-3H3/b12-11+/t14-,15+/m0/s1.
What are the key properties of (1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol?
(1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol has a molecular weight of 216.32 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol is sourced from PubChem (CID 100923978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).