2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate

C15H18O3 — CID 175223301

IUPAC2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate
SMILESCC(=CC/C=C/c1ccccc1)C(=O)OCCO
InChIInChI=1S/C15H18O3/c1-13(15(17)18-12-11-16)7-5-6-10-14-8-3-2-4-9-14/h2-4,6-10,16H,5,11-12H2,1H3/b10-6+,13-7?
InChIKeyILJMIGRPSKGHSH-DTCVOIPYSA-N
MW246.31 g/mol
LogP2.57
Rot. Bonds6

About 2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate

2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate (PubChem CID 175223301) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate.

Molecular Properties

Compound Name2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate
PubChem CID175223301
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate
SMILESCC(=CC/C=C/c1ccccc1)C(=O)OCCO
InChIInChI=1S/C15H18O3/c1-13(15(17)18-12-11-16)7-5-6-10-14-8-3-2-4-9-14/h2-4,6-10,16H,5,11-12H2,1H3/b10-6+,13-7?
InChIKeyILJMIGRPSKGHSH-DTCVOIPYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl 2-methylhexa-2,5-dienoate
CID 57086729
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate
CID 174480451
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
2-hydroxyethyl 2-methylpent-2-enoate
CID 137318053
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxobutanoate
CID 14318947
sodium;2-hydroxyethyl 2-methylprop-2-enoate;2-phenylethenesulfonate
CID 86722558
2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate
CID 176610982
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
butyl 2-methylidene-4-phenylbut-3-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 88665483
2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate
CID 173477816
2-phenylethyl 2-methyl-5-phenylpent-2-enoate
CID 174876813

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate?
The IUPAC name of 2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate (CID 175223301) is 2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate.
What is the SMILES notation for 2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate?
The canonical SMILES for 2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate is CC(=CC/C=C/c1ccccc1)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate?
The InChIKey is ILJMIGRPSKGHSH-DTCVOIPYSA-N. The full InChI is InChI=1S/C15H18O3/c1-13(15(17)18-12-11-16)7-5-6-10-14-8-3-2-4-9-14/h2-4,6-10,16H,5,11-12H2,1H3/b10-6+,13-7?.
What are the key properties of 2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate?
2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate has a molecular weight of 246.31 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl (5E)-2-methyl-6-phenylhexa-2,5-dienoate is sourced from PubChem (CID 175223301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).