(3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate

C19H20O4 — CID 732859

IUPAC(3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)Oc2ccc(C)c(C)c2)c(OC)c1
InChIInChI=1S/C19H20O4/c1-13-5-8-17(11-14(13)2)23-19(20)10-7-15-6-9-16(21-3)12-18(15)22-4/h5-12H,1-4H3
InChIKeyDSVRFKLJWKKQDG-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.94
Rot. Bonds5

About (3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate

(3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate (PubChem CID 732859) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate
PubChem CID732859
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)Oc2ccc(C)c(C)c2)c(OC)c1
InChIInChI=1S/C19H20O4/c1-13-5-8-17(11-14(13)2)23-19(20)10-7-15-6-9-16(21-3)12-18(15)22-4/h5-12H,1-4H3
InChIKeyDSVRFKLJWKKQDG-UHFFFAOYSA-N
XLogP3.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(4-chlorophenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 732877
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
3-[2-[2-(3,4-dimethylphenoxy)ethoxy]-4-methoxyphenyl]prop-2-enoic acid
CID 22683689
(E)-4-(2,4-dimethoxyphenyl)-2-oxobut-3-enoic acid
CID 82159207
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 4281561
(E)-3-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9448321
1-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one
CID 175699870
methyl (E)-3-(5-methoxy-2-methylphenyl)prop-2-enoate
CID 13415110
[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 8604433
(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 10131464
(2Z,4E)-5-(2,4-dimethoxyphenyl)-3-methylpenta-2,4-dienoic acid
CID 1368846
ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 70021024

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of (3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate (CID 732859) is (3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for (3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate is COc1ccc(C=CC(=O)Oc2ccc(C)c(C)c2)c(OC)c1.
What is the InChIKey of (3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate?
The InChIKey is DSVRFKLJWKKQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-13-5-8-17(11-14(13)2)23-19(20)10-7-15-6-9-16(21-3)12-18(15)22-4/h5-12H,1-4H3.
What are the key properties of (3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate?
(3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate has a molecular weight of 312.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 732859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).