[(E)-4-phenylpent-3-enyl] hydrogen carbonate

C12H14O3 — CID 70193695

IUPAC[(E)-4-phenylpent-3-enyl] hydrogen carbonate
SMILESC/C(=C\CCOC(=O)O)c1ccccc1
InChIInChI=1S/C12H14O3/c1-10(6-5-9-15-12(13)14)11-7-3-2-4-8-11/h2-4,6-8H,5,9H2,1H3,(H,13,14)/b10-6+
InChIKeyCIBPDXYZSNRFNY-UXBLZVDNSA-N
MW206.24 g/mol
LogP3.17
Rot. Bonds4

About [(E)-4-phenylpent-3-enyl] hydrogen carbonate

[(E)-4-phenylpent-3-enyl] hydrogen carbonate (PubChem CID 70193695) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is [(E)-4-phenylpent-3-enyl] hydrogen carbonate.

Molecular Properties

Compound Name[(E)-4-phenylpent-3-enyl] hydrogen carbonate
PubChem CID70193695
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name[(E)-4-phenylpent-3-enyl] hydrogen carbonate
SMILESC/C(=C\CCOC(=O)O)c1ccccc1
InChIInChI=1S/C12H14O3/c1-10(6-5-9-15-12(13)14)11-7-3-2-4-8-11/h2-4,6-8H,5,9H2,1H3,(H,13,14)/b10-6+
InChIKeyCIBPDXYZSNRFNY-UXBLZVDNSA-N
XLogP3.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(E)-4-phenylpent-3-enyl] hydrogen carbonate 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

butyl hydrogen carbonate;1-phenylethanone
CID 161206169
[(3E)-4-phenylhexa-3,5-dienyl] acetate
CID 102287697
2,8-diphenylnona-2,7-dien-5-one
CID 139864359
[4-methoxy-4-(3-methoxyphenyl)but-3-enyl] hydrogen carbonate
CID 175083671
[(E)-4-(4-chlorophenyl)-4-phenylbut-3-enyl] acetate
CID 102243525
[(E)-5-phenylhex-4-enyl]benzene
CID 14767514
[(Z)-4-bromobut-2-en-2-yl]benzene
CID 68809722
iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc
CID 135060356
hex-3-enyl 2-(2-phenylprop-1-enoxy)propanoate
CID 167438006
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
4-phenylpent-3-en-2-one
CID 594380
(E)-5-(4-phenylphenyl)hex-4-en-1-amine
CID 95462396

Frequently Asked Questions

What is the IUPAC name of [(E)-4-phenylpent-3-enyl] hydrogen carbonate?
The IUPAC name of [(E)-4-phenylpent-3-enyl] hydrogen carbonate (CID 70193695) is [(E)-4-phenylpent-3-enyl] hydrogen carbonate.
What is the SMILES notation for [(E)-4-phenylpent-3-enyl] hydrogen carbonate?
The canonical SMILES for [(E)-4-phenylpent-3-enyl] hydrogen carbonate is C/C(=C\CCOC(=O)O)c1ccccc1.
What is the InChIKey of [(E)-4-phenylpent-3-enyl] hydrogen carbonate?
The InChIKey is CIBPDXYZSNRFNY-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H14O3/c1-10(6-5-9-15-12(13)14)11-7-3-2-4-8-11/h2-4,6-8H,5,9H2,1H3,(H,13,14)/b10-6+.
What are the key properties of [(E)-4-phenylpent-3-enyl] hydrogen carbonate?
[(E)-4-phenylpent-3-enyl] hydrogen carbonate has a molecular weight of 206.24 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-phenylpent-3-enyl] hydrogen carbonate is sourced from PubChem (CID 70193695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).