(E)-3-methyl-1-phenylmethoxybut-1-en-1-ol

C12H16O2 — CID 15837583

IUPAC(E)-3-methyl-1-phenylmethoxybut-1-en-1-ol
SMILESCC(C)/C=C(\O)OCc1ccccc1
InChIInChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-8,10,13H,9H2,1-2H3/b12-8+
InChIKeyZFTHZYDQDCYJSG-XYOKQWHBSA-N
MW192.26 g/mol
LogP3.26
Rot. Bonds4

About (E)-3-methyl-1-phenylmethoxybut-1-en-1-ol

(E)-3-methyl-1-phenylmethoxybut-1-en-1-ol (PubChem CID 15837583) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (E)-3-methyl-1-phenylmethoxybut-1-en-1-ol.

Molecular Properties

Compound Name(E)-3-methyl-1-phenylmethoxybut-1-en-1-ol
PubChem CID15837583
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(E)-3-methyl-1-phenylmethoxybut-1-en-1-ol
SMILESCC(C)/C=C(\O)OCc1ccccc1
InChIInChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-8,10,13H,9H2,1-2H3/b12-8+
InChIKeyZFTHZYDQDCYJSG-XYOKQWHBSA-N
XLogP3.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-methyl-1-phenylmethoxybut-1-en-1-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

benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
(Z)-4-methyl-2-(2-oxo-2-phenylmethoxyethyl)pent-2-enoic acid
CID 101339378
benzyl (2S)-2-aminopropanoate
CID 726858
(Z)-methyl-(2-methylpropylidene)-phenylmethoxycarbonylazanium
CID 135042080
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
lithium 1-phenylmethoxyethenolate
CID 23696401
benzyl 3,4-dimethylhexanoate
CID 123356915
benzyl (2R)-2-methyl-3-oxobutanoate
CID 101065434
benzyl 3-hydroxybutanoate
CID 562226
benzyl acetate
CID 8785
benzyl 4-amino-3-methylpentanoate
CID 174893438
benzyl (E)-2,2,3-trimethylhex-4-enoate
CID 22173643

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-1-phenylmethoxybut-1-en-1-ol?
The IUPAC name of (E)-3-methyl-1-phenylmethoxybut-1-en-1-ol (CID 15837583) is (E)-3-methyl-1-phenylmethoxybut-1-en-1-ol.
What is the SMILES notation for (E)-3-methyl-1-phenylmethoxybut-1-en-1-ol?
The canonical SMILES for (E)-3-methyl-1-phenylmethoxybut-1-en-1-ol is CC(C)/C=C(\O)OCc1ccccc1.
What is the InChIKey of (E)-3-methyl-1-phenylmethoxybut-1-en-1-ol?
The InChIKey is ZFTHZYDQDCYJSG-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-8,10,13H,9H2,1-2H3/b12-8+.
What are the key properties of (E)-3-methyl-1-phenylmethoxybut-1-en-1-ol?
(E)-3-methyl-1-phenylmethoxybut-1-en-1-ol has a molecular weight of 192.26 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-1-phenylmethoxybut-1-en-1-ol is sourced from PubChem (CID 15837583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).