2-phenylethyl 2-methyl-5-phenylpent-2-enoate

C20H22O2 — CID 174876813

IUPAC2-phenylethyl 2-methyl-5-phenylpent-2-enoate
SMILESCC(=CCCc1ccccc1)C(=O)OCCc1ccccc1
InChIInChI=1S/C20H22O2/c1-17(9-8-14-18-10-4-2-5-11-18)20(21)22-16-15-19-12-6-3-7-13-19/h2-7,9-13H,8,14-16H2,1H3
InChIKeyGIQGSXISKVDRNU-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.35
Rot. Bonds7

About 2-phenylethyl 2-methyl-5-phenylpent-2-enoate

2-phenylethyl 2-methyl-5-phenylpent-2-enoate (PubChem CID 174876813) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-phenylethyl 2-methyl-5-phenylpent-2-enoate.

Molecular Properties

Compound Name2-phenylethyl 2-methyl-5-phenylpent-2-enoate
PubChem CID174876813
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name2-phenylethyl 2-methyl-5-phenylpent-2-enoate
SMILESCC(=CCCc1ccccc1)C(=O)OCCc1ccccc1
InChIInChI=1S/C20H22O2/c1-17(9-8-14-18-10-4-2-5-11-18)20(21)22-16-15-19-12-6-3-7-13-19/h2-7,9-13H,8,14-16H2,1H3
InChIKeyGIQGSXISKVDRNU-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate
CID 176610982
2-phenylethyl acetate
CID 7654
acetic acid;2-phenylethyl acetate
CID 174791962
2-phenylethyl 3,3-difluoro-2-methylprop-2-enoate
CID 11401868
methyl (E)-2-methyl-7-phenylhept-2-enoate
CID 10911424
ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate
CID 11265152
ethyl 2-methyl-5-phenylmethoxypent-2-enoate
CID 71337058
benzyl 2-methyloct-2-enoate
CID 154247203
2-methyl-5-(2-methyl-5-phenoxypent-2-enoyl)oxypent-2-enoic acid
CID 91283637
2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate
CID 174222574
2-phenylethyl 2-aminoprop-2-enoate
CID 19357551
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-methyl-5-phenylpent-2-enoate?
The IUPAC name of 2-phenylethyl 2-methyl-5-phenylpent-2-enoate (CID 174876813) is 2-phenylethyl 2-methyl-5-phenylpent-2-enoate.
What is the SMILES notation for 2-phenylethyl 2-methyl-5-phenylpent-2-enoate?
The canonical SMILES for 2-phenylethyl 2-methyl-5-phenylpent-2-enoate is CC(=CCCc1ccccc1)C(=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 2-methyl-5-phenylpent-2-enoate?
The InChIKey is GIQGSXISKVDRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-17(9-8-14-18-10-4-2-5-11-18)20(21)22-16-15-19-12-6-3-7-13-19/h2-7,9-13H,8,14-16H2,1H3.
What are the key properties of 2-phenylethyl 2-methyl-5-phenylpent-2-enoate?
2-phenylethyl 2-methyl-5-phenylpent-2-enoate has a molecular weight of 294.39 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-methyl-5-phenylpent-2-enoate is sourced from PubChem (CID 174876813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).