methyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate

C14H18O3 — CID 11053577

IUPACmethyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate
SMILESCC/C(=C(\C)C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C14H18O3/c1-5-13(10(2)14(15)17-4)11-6-8-12(16-3)9-7-11/h6-9H,5H2,1-4H3/b13-10-
InChIKeyMSYYQKHUZDGDIE-RAXLEYEMSA-N
MW234.29 g/mol
LogP3.05
Rot. Bonds4

About methyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate

methyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate (PubChem CID 11053577) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is methyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate
PubChem CID11053577
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namemethyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate
SMILESCC/C(=C(\C)C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C14H18O3/c1-5-13(10(2)14(15)17-4)11-6-8-12(16-3)9-7-11/h6-9H,5H2,1-4H3/b13-10-
InChIKeyMSYYQKHUZDGDIE-RAXLEYEMSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.05
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

1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene
CID 13119213
methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate
CID 101149814
ethyl (E)-3-(4-methoxyphenyl)-2-methylbut-2-enoate
CID 14981539
2-[1-(4-methoxyphenyl)propylidene]propanedinitrile
CID 82309101
ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate
CID 19421674
methyl (2E)-2-[1-(4-methoxyphenyl)ethylidene]hexanoate
CID 10730196
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate
CID 125477773
ethyl (Z)-2-methyl-3-phenylpent-2-enoate
CID 15743107
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate
CID 54129750
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate?
The IUPAC name of methyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate (CID 11053577) is methyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate.
What is the SMILES notation for methyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate?
The canonical SMILES for methyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate is CC/C(=C(\C)C(=O)OC)c1ccc(OC)cc1.
What is the InChIKey of methyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate?
The InChIKey is MSYYQKHUZDGDIE-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H18O3/c1-5-13(10(2)14(15)17-4)11-6-8-12(16-3)9-7-11/h6-9H,5H2,1-4H3/b13-10-.
What are the key properties of methyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate?
methyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate has a molecular weight of 234.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(4-methoxyphenyl)-2-methylpent-2-enoate is sourced from PubChem (CID 11053577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).