ethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate

C16H22O4 — CID 10912844

IUPACethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](C)c1ccc(C)c(OC)c1OC
InChIInChI=1S/C16H22O4/c1-6-20-14(17)10-8-11(2)13-9-7-12(3)15(18-4)16(13)19-5/h7-11H,6H2,1-5H3/b10-8+/t11-/m1/s1
InChIKeyPKTYIYAUGIRTDS-RJCSOLBVSA-N
MW278.35 g/mol
LogP3.24
Rot. Bonds6

About ethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate

ethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate (PubChem CID 10912844) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate
PubChem CID10912844
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Nameethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](C)c1ccc(C)c(OC)c1OC
InChIInChI=1S/C16H22O4/c1-6-20-14(17)10-8-11(2)13-9-7-12(3)15(18-4)16(13)19-5/h7-11H,6H2,1-5H3/b10-8+/t11-/m1/s1
InChIKeyPKTYIYAUGIRTDS-RJCSOLBVSA-N
XLogP3.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
CID 117353034
ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate
CID 53380978
ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117357394
[(E)-3-ethoxy-3-oxoprop-1-enyl]-triphenylphosphanium
CID 59950522
(4S)-4-(2,3-dimethoxy-4-methylphenyl)pentanal
CID 10847418
ethyl (E)-4-(3-methoxy-4-methylphenyl)but-2-enoate
CID 125485267
ethyl (E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoate
CID 56950643
ethyl 3-(4-hydroxy-2,3-dimethoxyphenyl)prop-2-enoate
CID 174504187
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (E,4S)-4-(4-bromo-2,6-difluorophenoxy)pent-2-enoate
CID 140722310
ethyl (E,4R)-4-hydroperoxyhex-2-enoate
CID 101260352
3-amino-3-(3-methoxy-2,4-dimethylphenyl)propanoic acid
CID 117319634

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate?
The IUPAC name of ethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate (CID 10912844) is ethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate.
What is the SMILES notation for ethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate?
The canonical SMILES for ethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate is CCOC(=O)/C=C/[C@@H](C)c1ccc(C)c(OC)c1OC.
What is the InChIKey of ethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate?
The InChIKey is PKTYIYAUGIRTDS-RJCSOLBVSA-N. The full InChI is InChI=1S/C16H22O4/c1-6-20-14(17)10-8-11(2)13-9-7-12(3)15(18-4)16(13)19-5/h7-11H,6H2,1-5H3/b10-8+/t11-/m1/s1.
What are the key properties of ethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate?
ethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate has a molecular weight of 278.35 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R)-4-(2,3-dimethoxy-4-methylphenyl)pent-2-enoate is sourced from PubChem (CID 10912844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).