ethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate

C16H22O3 — CID 101340154

IUPACethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate
SMILESCCOC(=O)/C=C(\C)CCCc1ccccc1OC
InChIInChI=1S/C16H22O3/c1-4-19-16(17)12-13(2)8-7-10-14-9-5-6-11-15(14)18-3/h5-6,9,11-12H,4,7-8,10H2,1-3H3/b13-12+
InChIKeyLDOPOBBPJKQSPQ-OUKQBFOZSA-N
MW262.35 g/mol
LogP3.53
Rot. Bonds7

About ethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate

ethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate (PubChem CID 101340154) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate.

Molecular Properties

Compound Nameethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate
PubChem CID101340154
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Nameethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate
SMILESCCOC(=O)/C=C(\C)CCCc1ccccc1OC
InChIInChI=1S/C16H22O3/c1-4-19-16(17)12-13(2)8-7-10-14-9-5-6-11-15(14)18-3/h5-6,9,11-12H,4,7-8,10H2,1-3H3/b13-12+
InChIKeyLDOPOBBPJKQSPQ-OUKQBFOZSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-(2-methoxyphenyl)pentanoate;5-(2-methoxyphenyl)pentanoic acid
CID 161019500
5-(2-methoxyphenyl)pentanoic acid
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7-(2-methoxyphenyl)heptanoic acid
CID 59451681
trimethylsilyl 4-(2-methoxyphenyl)butanoate
CID 584242
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
ethyl 2-methoxy-6-pentylbenzoate
CID 15433169
methyl (E)-9-(2-methoxyphenyl)-6-methyl-2-oxonon-6-enoate
CID 46909592
(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoic acid
CID 97301486
ethyl 4-(4-methoxyphenyl)-3-methylbut-2-enoate
CID 54482573
1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea
CID 108914510
1-methoxy-2-tetradecylbenzene
CID 69169530
ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate
CID 139988094

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate?
The IUPAC name of ethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate (CID 101340154) is ethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate.
What is the SMILES notation for ethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate?
The canonical SMILES for ethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate is CCOC(=O)/C=C(\C)CCCc1ccccc1OC.
What is the InChIKey of ethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate?
The InChIKey is LDOPOBBPJKQSPQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H22O3/c1-4-19-16(17)12-13(2)8-7-10-14-9-5-6-11-15(14)18-3/h5-6,9,11-12H,4,7-8,10H2,1-3H3/b13-12+.
What are the key properties of ethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate?
ethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate has a molecular weight of 262.35 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-6-(2-methoxyphenyl)-3-methylhex-2-enoate is sourced from PubChem (CID 101340154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).