(2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate

C18H18O3 — CID 734263

IUPAC(2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)Oc1c(C)cccc1C
InChIInChI=1S/C18H18O3/c1-13-7-6-8-14(2)18(13)21-17(19)12-11-15-9-4-5-10-16(15)20-3/h4-12H,1-3H3/b12-11+
InChIKeyXHRMDINPBOKBRF-VAWYXSNFSA-N
MW282.34 g/mol
LogP3.93
Rot. Bonds4

About (2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate

(2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 734263) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID734263
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)Oc1c(C)cccc1C
InChIInChI=1S/C18H18O3/c1-13-7-6-8-14(2)18(13)21-17(19)12-11-15-9-4-5-10-16(15)20-3/h4-12H,1-3H3/b12-11+
InChIKeyXHRMDINPBOKBRF-VAWYXSNFSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2444606
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate
CID 4990417
[4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2397099
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541550
(2,6-dimethylphenyl) 3-(2,4-dichlorophenyl)prop-2-enoate
CID 723876
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
[2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 3300739
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
3-[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20992986
phenacyl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541811
butan-2-yl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 130331874

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of (2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate (CID 734263) is (2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1/C=C/C(=O)Oc1c(C)cccc1C.
What is the InChIKey of (2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is XHRMDINPBOKBRF-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H18O3/c1-13-7-6-8-14(2)18(13)21-17(19)12-11-15-9-4-5-10-16(15)20-3/h4-12H,1-3H3/b12-11+.
What are the key properties of (2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate?
(2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 734263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).