methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate

C19H20O3 — CID 82543564

IUPACmethyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate
SMILESCC/C(=C\C(=O)OC)c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20O3/c1-4-14(13-19(20)22-3)15-5-7-16(8-6-15)17-9-11-18(21-2)12-10-17/h5-13H,4H2,1-3H3/b14-13+
InChIKeyMEDKVYRBBXDJCI-BUHFOSPRSA-N
MW296.37 g/mol
LogP4.33
Rot. Bonds5

About methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate

methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate (PubChem CID 82543564) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate
PubChem CID82543564
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Namemethyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate
SMILESCC/C(=C\C(=O)OC)c1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20O3/c1-4-14(13-19(20)22-3)15-5-7-16(8-6-15)17-9-11-18(21-2)12-10-17/h5-13H,4H2,1-3H3/b14-13+
InChIKeyMEDKVYRBBXDJCI-BUHFOSPRSA-N
XLogP4.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.33
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

methyl (Z)-4-bromo-3-(4-methoxyphenyl)but-2-enoate
CID 131873738
(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
CID 135075979
methyl (E)-3-(4-methoxyphenyl)but-2-enoate
CID 11074539
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
1-methoxy-4-[(Z)-1-nitrobut-1-en-2-yl]benzene
CID 146168276
methyl (Z)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)prop-2-enoate
CID 12660151
methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate
CID 125477773
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829
(Z)-3-(4-methoxyphenyl)pent-2-enedioic acid
CID 70572343
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
methyl (E)-3-[4-fluoro-3-(4-methoxyphenyl)phenyl]but-2-enoate
CID 82543563
5-(4-methoxyphenyl)hepta-2,4-dienoic acid
CID 54040855

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate?
The IUPAC name of methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate (CID 82543564) is methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate?
The canonical SMILES for methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate is CC/C(=C\C(=O)OC)c1ccc(-c2ccc(OC)cc2)cc1.
What is the InChIKey of methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate?
The InChIKey is MEDKVYRBBXDJCI-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H20O3/c1-4-14(13-19(20)22-3)15-5-7-16(8-6-15)17-9-11-18(21-2)12-10-17/h5-13H,4H2,1-3H3/b14-13+.
What are the key properties of methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate?
methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate has a molecular weight of 296.37 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-(4-methoxyphenyl)phenyl]pent-2-enoate is sourced from PubChem (CID 82543564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).