[(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate

C13H16O4 — CID 101015605

IUPAC[(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/CCc1ccccc1O
InChIInChI=1S/C13H16O4/c1-16-13(15)17-10-6-2-3-7-11-8-4-5-9-12(11)14/h2,4-6,8-9,14H,3,7,10H2,1H3/b6-2+
InChIKeySVDSIOPYRVTRKF-QHHAFSJGSA-N
MW236.27 g/mol
LogP2.66
Rot. Bonds5

About [(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate

[(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate (PubChem CID 101015605) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is [(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate
PubChem CID101015605
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name[(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/CCc1ccccc1O
InChIInChI=1S/C13H16O4/c1-16-13(15)17-10-6-2-3-7-11-8-4-5-9-12(11)14/h2,4-6,8-9,14H,3,7,10H2,1H3/b6-2+
InChIKeySVDSIOPYRVTRKF-QHHAFSJGSA-N
XLogP2.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate
CID 57337895
[(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate
CID 101259587
2-(2-hydroxyphenyl)ethyl methyl carbonate
CID 102381478
2-[(E)-hex-3-enyl]phenol
CID 21272840
2-[(E)-5-hydroxypent-3-enyl]phenol
CID 57337479
[(E)-4-[benzyl-[(3-hydroxy-2-methoxyphenyl)methyl]amino]but-2-enyl] methyl carbonate
CID 135074749
2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120986590
methyl [(2E,6E)-8-naphthalen-2-yl-8-oxoocta-2,6-dienyl] carbonate
CID 101254291
[(E)-5,5-bis(hydroxymethyl)-6-(2-methylphenyl)hex-2-enyl] methyl carbonate
CID 16720293
(2R)-2-amino-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 120872754
[(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate
CID 101422727
methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate
CID 60712354

Frequently Asked Questions

What is the IUPAC name of [(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate?
The IUPAC name of [(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate (CID 101015605) is [(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate.
What is the SMILES notation for [(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate?
The canonical SMILES for [(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate is COC(=O)OC/C=C/CCc1ccccc1O.
What is the InChIKey of [(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate?
The InChIKey is SVDSIOPYRVTRKF-QHHAFSJGSA-N. The full InChI is InChI=1S/C13H16O4/c1-16-13(15)17-10-6-2-3-7-11-8-4-5-9-12(11)14/h2,4-6,8-9,14H,3,7,10H2,1H3/b6-2+.
What are the key properties of [(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate?
[(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate has a molecular weight of 236.27 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate is sourced from PubChem (CID 101015605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).